2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane

C60H52O7 — CID 158605376

IUPAC2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane
SMILESCOCC(O)Oc1ccc(C2(c3ccc(OCC4CO4)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(OCC4CO4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H28O5.C29H24O2/c1-33-20-30(32)36-24-16-12-22(13-17-24)31(21-10-14-23(15-11-21)34-18-25-19-35-25)28-8-4-2-6-26(28)27-7-3-5-9-29(27)31;1-20-10-12-21(13-11-20)29(22-14-16-23(17-15-22)30-18-24-19-31-24)27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-17,25,30,32H,18-20H2,1H3;2-17,24H,18-19H2,1H3
InChIKeyHWDQKEHWSHGEGU-UHFFFAOYSA-N
MW885.07 g/mol
LogP11.31
Rot. Bonds14

About 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane

2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane (PubChem CID 158605376) has the molecular formula C60H52O7 and a molecular weight of 885.07 g/mol. Its IUPAC name is 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane
PubChem CID158605376
Molecular FormulaC60H52O7
Molecular Weight885.07 g/mol
Exact Mass884.37
IUPAC Name2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane
SMILESCOCC(O)Oc1ccc(C2(c3ccc(OCC4CO4)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(OCC4CO4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H28O5.C29H24O2/c1-33-20-30(32)36-24-16-12-22(13-17-24)31(21-10-14-23(15-11-21)34-18-25-19-35-25)28-8-4-2-6-26(28)27-7-3-5-9-29(27)31;1-20-10-12-21(13-11-20)29(22-14-16-23(17-15-22)30-18-24-19-31-24)27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-17,25,30,32H,18-20H2,1H3;2-17,24H,18-19H2,1H3
InChIKeyHWDQKEHWSHGEGU-UHFFFAOYSA-N
XLogP11.31
TPSA82.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.07
LogP ≤ 511.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[4-[9-[4-[[(2R)-oxiran-2-yl]methoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 89157873
2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
CID 178028891
2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
CID 88858743
2-[2-[4-[11-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]benzo[b]fluoren-11-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[11-[4-(oxiran-2-ylmethoxy)phenyl]benzo[b]fluoren-11-yl]phenoxy]methyl]oxirane
CID 164953696
2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane
CID 178028893
3-[4-[9-[4-(2-hydroxy-3-methoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propane-1,2-diol
CID 71003810
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
2-[[2-methyl-4-[9-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane;[2-methyl-3-[2-[4-[9-[4-[2-(2-methyl-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;2-[2-[4-[9-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane;2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 159778826
2-[[6-[9,18,18,27,27-pentakis[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-yl]oxymethyl]oxirane
CID 89491365
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
CID 139725546
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane (CID 158605376) is 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane is COCC(O)Oc1ccc(C2(c3ccc(OCC4CO4)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(C2(c3ccc(OCC4CO4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane?
The InChIKey is HWDQKEHWSHGEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O5.C29H24O2/c1-33-20-30(32)36-24-16-12-22(13-17-24)31(21-10-14-23(15-11-21)34-18-25-19-35-25)28-8-4-2-6-26(28)27-7-3-5-9-29(27)31;1-20-10-12-21(13-11-20)29(22-14-16-23(17-15-22)30-18-24-19-31-24)27-8-4-2-6-25(27)26-7-3-5-9-28(26)29/h2-17,25,30,32H,18-20H2,1H3;2-17,24H,18-19H2,1H3.
What are the key properties of 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane?
2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane has a molecular weight of 885.07 g/mol, XLogP of 11.31, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]ethanol;2-[[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 158605376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).