(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene

C27H22O3 — CID 102063385

IUPAC(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
SMILESCOc1ccc([C@@]2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1OC
InChIInChI=1S/C27H22O3/c1-28-25-15-13-21(18-26(25)29-2)27(20-9-4-3-5-10-20)17-16-23-22-11-7-6-8-19(22)12-14-24(23)30-27/h3-18H,1-2H3/t27-/m0/s1
InChIKeyIGYSQLZOXHOZPJ-MHZLTWQESA-N
MW394.47 g/mol
LogP6.21
Rot. Bonds4

About (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene

(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene (PubChem CID 102063385) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene.

Molecular Properties

Compound Name(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
PubChem CID102063385
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Name(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene
SMILESCOc1ccc([C@@]2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1OC
InChIInChI=1S/C27H22O3/c1-28-25-15-13-21(18-26(25)29-2)27(20-9-4-3-5-10-20)17-16-23-22-11-7-6-8-19(22)12-14-24(23)30-27/h3-18H,1-2H3/t27-/m0/s1
InChIKeyIGYSQLZOXHOZPJ-MHZLTWQESA-N
XLogP6.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-3-naphthalen-2-yl-3-phenylbenzo[f]chromene
CID 139692008
3-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 18916131
7-methoxy-3,3-diphenylbenzo[f]chromene
CID 18954870
8-methoxy-3-phenyl-3-(4-phenylphenyl)benzo[f]chromene
CID 15331134
8-methoxy-3,3-bis(4-phenylphenyl)benzo[f]chromene
CID 15333406
4-(8-methoxy-3-phenylbenzo[f]chromen-3-yl)-N,N-dimethylaniline
CID 23363453
3-[4-[2-(2-methoxyethoxy)ethyl]phenyl]-3-naphthalen-2-ylbenzo[f]chromene
CID 139694625
[5-[3-(2-fluorophenyl)benzo[f]chromen-3-yl]-2-methoxyphenyl]methanamine
CID 174396690
3-(2-fluorophenyl)-3-(4-methoxyphenyl)benzo[f]chromene
CID 3104875
5-(3-phenylbenzo[f]chromen-3-yl)-2,3-dihydro-1H-indole
CID 19378311
3,3-bis[3-(trifluoromethyl)phenyl]benzo[f]chromene
CID 71346281
CID 10527161
CID 10527161

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene?
The IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene (CID 102063385) is (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene.
What is the SMILES notation for (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene?
The canonical SMILES for (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene is COc1ccc([C@@]2(c3ccccc3)C=Cc3c(ccc4ccccc34)O2)cc1OC.
What is the InChIKey of (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene?
The InChIKey is IGYSQLZOXHOZPJ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H22O3/c1-28-25-15-13-21(18-26(25)29-2)27(20-9-4-3-5-10-20)17-16-23-22-11-7-6-8-19(22)12-14-24(23)30-27/h3-18H,1-2H3/t27-/m0/s1.
What are the key properties of (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene?
(3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene has a molecular weight of 394.47 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dimethoxyphenyl)-3-phenylbenzo[f]chromene is sourced from PubChem (CID 102063385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).