3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol

C25H24O3 — CID 165112766

IUPAC3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol
SMILESCOc1ccc(/C=C/c2cc(O)c3c(c2)OC(C)(C)c2ccc(C)cc2-3)cc1
InChIInChI=1S/C25H24O3/c1-16-5-12-21-20(13-16)24-22(26)14-18(15-23(24)28-25(21,2)3)7-6-17-8-10-19(27-4)11-9-17/h5-15,26H,1-4H3/b7-6+
InChIKeyWRSOONJCZYOAGS-VOTSOKGWSA-N
MW372.46 g/mol
LogP6.17
Rot. Bonds3

About 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol

3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol (PubChem CID 165112766) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol.

Molecular Properties

Compound Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol
PubChem CID165112766
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol
SMILESCOc1ccc(/C=C/c2cc(O)c3c(c2)OC(C)(C)c2ccc(C)cc2-3)cc1
InChIInChI=1S/C25H24O3/c1-16-5-12-21-20(13-16)24-22(26)14-18(15-23(24)28-25(21,2)3)7-6-17-8-10-19(27-4)11-9-17/h5-15,26H,1-4H3/b7-6+
InChIKeyWRSOONJCZYOAGS-VOTSOKGWSA-N
XLogP6.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(1-methoxy-6,6,9-trimethylbenzo[c]chromen-3-yl) trifluoromethanesulfonate
CID 165112761
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
2-fluoro-4-[(E)-2-(4-methoxyphenyl)ethenyl]-6-methylphenol
CID 165087333
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
1-hydroxy-3,6,6,9-tetramethyl-N-propan-2-ylbenzo[c]chromene-2-carboxamide
CID 156715827
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2,6-dimethylpyridine
CID 102336030
N-(4-methoxyphenyl)-7-[(E)-2-[7-[(E)-2-[7-(N-(4-methoxyphenyl)-4-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(4-methylphenyl)fluoren-2-amine
CID 59246029
2-hydroxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzaldehyde
CID 15189859
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
N-[4-[2-[4-[2-[4-(N-(2,4-dimethylphenyl)-4-methoxyanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,4-dimethyl-N-(4-methylphenyl)aniline
CID 58177550

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol?
The IUPAC name of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol (CID 165112766) is 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol.
What is the SMILES notation for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol?
The canonical SMILES for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol is COc1ccc(/C=C/c2cc(O)c3c(c2)OC(C)(C)c2ccc(C)cc2-3)cc1.
What is the InChIKey of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol?
The InChIKey is WRSOONJCZYOAGS-VOTSOKGWSA-N. The full InChI is InChI=1S/C25H24O3/c1-16-5-12-21-20(13-16)24-22(26)14-18(15-23(24)28-25(21,2)3)7-6-17-8-10-19(27-4)11-9-17/h5-15,26H,1-4H3/b7-6+.
What are the key properties of 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol?
3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol has a molecular weight of 372.46 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-methoxyphenyl)ethenyl]-6,6,9-trimethylbenzo[c]chromen-1-ol is sourced from PubChem (CID 165112766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).