2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane

C32H28O3 — CID 178028893

IUPAC2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane
SMILESc1ccc(C2(c3ccc(OCC4CC4)cc3)c3ccccc3-c3ccc(OCC4CO4)cc32)cc1
InChIInChI=1S/C32H28O3/c1-2-6-23(7-3-1)32(24-12-14-25(15-13-24)33-19-22-10-11-22)30-9-5-4-8-28(30)29-17-16-26(18-31(29)32)34-20-27-21-35-27/h1-9,12-18,22,27H,10-11,19-21H2
InChIKeyNTRZZZYWBMDMKR-UHFFFAOYSA-N
MW460.57 g/mol
LogP6.62
Rot. Bonds8

About 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane

2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane (PubChem CID 178028893) has the molecular formula C32H28O3 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane
PubChem CID178028893
Molecular FormulaC32H28O3
Molecular Weight460.57 g/mol
Exact Mass460.20
IUPAC Name2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane
SMILESc1ccc(C2(c3ccc(OCC4CC4)cc3)c3ccccc3-c3ccc(OCC4CO4)cc32)cc1
InChIInChI=1S/C32H28O3/c1-2-6-23(7-3-1)32(24-12-14-25(15-13-24)33-19-22-10-11-22)30-9-5-4-8-28(30)29-17-16-26(18-31(29)32)34-20-27-21-35-27/h1-9,12-18,22,27H,10-11,19-21H2
InChIKeyNTRZZZYWBMDMKR-UHFFFAOYSA-N
XLogP6.62
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
CID 88858743
2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
CID 178028891
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
1-chloro-3-[4-[9-[4-[[(2R)-oxiran-2-yl]methoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 89157873
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
2-[[6-[12-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]oxirane
CID 140948259
3-methylidene-1,1-bis[4-(oxiran-2-ylmethoxy)phenyl]-2-phenylisoindole
CID 134374736
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
ethene;2-(phenoxymethyl)oxirane
CID 135283522
2-methyl-3,3-bis[4-(oxiran-2-ylmethoxy)phenyl]isoindol-1-one
CID 146339293
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176

Frequently Asked Questions

What is the IUPAC name of 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane (CID 178028893) is 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane is c1ccc(C2(c3ccc(OCC4CC4)cc3)c3ccccc3-c3ccc(OCC4CO4)cc32)cc1.
What is the InChIKey of 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane?
The InChIKey is NTRZZZYWBMDMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O3/c1-2-6-23(7-3-1)32(24-12-14-25(15-13-24)33-19-22-10-11-22)30-9-5-4-8-28(30)29-17-16-26(18-31(29)32)34-20-27-21-35-27/h1-9,12-18,22,27H,10-11,19-21H2.
What are the key properties of 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane?
2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane has a molecular weight of 460.57 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[9-[4-(cyclopropylmethoxy)phenyl]-9-phenylfluoren-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 178028893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).