9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene

C28H26O2 — CID 153323288

IUPAC9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene
SMILESCc1ccccc1Oc1c2c(c(Oc3ccccc3C)c3ccccc13)CCCC2
InChIInChI=1S/C28H26O2/c1-19-11-3-9-17-25(19)29-27-21-13-5-7-15-23(21)28(24-16-8-6-14-22(24)27)30-26-18-10-4-12-20(26)2/h3-5,7,9-13,15,17-18H,6,8,14,16H2,1-2H3
InChIKeyXTBUXKTYCZPTOB-UHFFFAOYSA-N
MW394.51 g/mol
LogP7.92
Rot. Bonds4

About 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene

9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene (PubChem CID 153323288) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene.

Molecular Properties

Compound Name9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene
PubChem CID153323288
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene
SMILESCc1ccccc1Oc1c2c(c(Oc3ccccc3C)c3ccccc13)CCCC2
InChIInChI=1S/C28H26O2/c1-19-11-3-9-17-25(19)29-27-21-13-5-7-15-23(21)28(24-16-8-6-14-22(24)27)30-26-18-10-4-12-20(26)2/h3-5,7,9-13,15,17-18H,6,8,14,16H2,1-2H3
InChIKeyXTBUXKTYCZPTOB-UHFFFAOYSA-N
XLogP7.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-tris(2-methylphenoxy)benzene
CID 139940567
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
3,5-dimethyl-4-(2-methylphenoxy)phenol
CID 18994525
10-methoxy-9-methyl-1,2,3,4-tetrahydrophenanthrene
CID 71499800
3,5-difluoro-4-(2-methylphenoxy)benzenecarbothioamide
CID 81286479
ethane;1-methyl-2-phenoxybenzene
CID 90950955
argon;bis(9,10-dimethyl-1,2,3,4-tetrahydroanthracene);ethane
CID 165047463
tetracyclo[6.6.5.02,7.09,14]nonadeca-1,3,5,7,9,11,13-heptaene
CID 14980237
4-(2-methylphenoxy)quinazolin-2-amine
CID 80869397
1-[4-(2-methylphenoxy)phenyl]pyrrolidine
CID 168515858
ethane;2,7,7-trimethyl-4-(2-methylphenoxy)-6,8-dihydro-5H-quinazoline
CID 163248758
1-methyl-2-[4-[[4-(2-methylphenoxy)phenyl]methoxymethyl]phenoxy]benzene
CID 67084607

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene?
The IUPAC name of 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene (CID 153323288) is 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene.
What is the SMILES notation for 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene?
The canonical SMILES for 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene is Cc1ccccc1Oc1c2c(c(Oc3ccccc3C)c3ccccc13)CCCC2.
What is the InChIKey of 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene?
The InChIKey is XTBUXKTYCZPTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-19-11-3-9-17-25(19)29-27-21-13-5-7-15-23(21)28(24-16-8-6-14-22(24)27)30-26-18-10-4-12-20(26)2/h3-5,7,9-13,15,17-18H,6,8,14,16H2,1-2H3.
What are the key properties of 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene?
9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene has a molecular weight of 394.51 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2-methylphenoxy)-1,2,3,4-tetrahydroanthracene is sourced from PubChem (CID 153323288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).