[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol

C34H36O4 — CID 160865394

IUPAC[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
SMILESCOc1c(/C=C/c2ccc(C)cc2)cccc1CO.COc1c(/C=C/c2ccc(C)cc2)cccc1CO
InChIInChI=1S/2C17H18O2/c2*1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-18)17(15)19-2/h2*3-11,18H,12H2,1-2H3/b2*11-10+
InChIKeySLAWMVLPAYOHFW-YFGZYSTASA-N
MW508.66 g/mol
LogP7.33
Rot. Bonds8

About [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol

[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol (PubChem CID 160865394) has the molecular formula C34H36O4 and a molecular weight of 508.66 g/mol. Its IUPAC name is [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
PubChem CID160865394
Molecular FormulaC34H36O4
Molecular Weight508.66 g/mol
Exact Mass508.26
IUPAC Name[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
SMILESCOc1c(/C=C/c2ccc(C)cc2)cccc1CO.COc1c(/C=C/c2ccc(C)cc2)cccc1CO
InChIInChI=1S/2C17H18O2/c2*1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-18)17(15)19-2/h2*3-11,18H,12H2,1-2H3/b2*11-10+
InChIKeySLAWMVLPAYOHFW-YFGZYSTASA-N
XLogP7.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 57.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol
CID 157192807
1-[2-(4-methylphenyl)ethenyl]-5-[5-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]oxynaphthalene
CID 72543301
1,4-bis[(Z)-2-(4-methylphenyl)ethenyl]naphthalene
CID 147563124
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]aniline
CID 58933310
1-[(E)-2-[4-[(E)-2-naphthalen-1-ylethenyl]phenyl]ethenyl]naphthalene
CID 139196261
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
1-fluoro-2-[(E)-2-(4-fluorophenyl)ethenyl]-4-methylbenzene;2-fluoro-4-methyl-1-[(E)-2-(4-methylphenyl)ethenyl]benzene;[4-[(E)-2-[2-(hydroxymethyl)-4-methylphenyl]ethenyl]phenyl]methanol;[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol;[4-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]phenyl]methanol;[2-methyl-6-[(E)-2-phenylethenyl]phenyl]methanol;1-methyl-4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzene;[2-[(E)-2-phenylethenyl]phenyl]methanol
CID 163760208
1-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethoxybenzene
CID 138660638
2-[2-[(E)-2-(4-methylphenyl)ethenyl]phenyl]acetonitrile
CID 170560532
4-[2-(2,3-dimethoxyphenyl)ethenyl]-N,N-bis[4-[2-(2,3-dimethoxyphenyl)ethenyl]phenyl]aniline
CID 134974449
N,N-diethyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]naphthalen-1-yl]ethenyl]aniline
CID 58518835
1-[(E)-3-(4-methylphenyl)prop-2-enyl]naphthalene
CID 142146166

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol?
The IUPAC name of [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol (CID 160865394) is [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol.
What is the SMILES notation for [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol?
The canonical SMILES for [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol is COc1c(/C=C/c2ccc(C)cc2)cccc1CO.COc1c(/C=C/c2ccc(C)cc2)cccc1CO.
What is the InChIKey of [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol?
The InChIKey is SLAWMVLPAYOHFW-YFGZYSTASA-N. The full InChI is InChI=1S/2C17H18O2/c2*1-13-6-8-14(9-7-13)10-11-15-4-3-5-16(12-18)17(15)19-2/h2*3-11,18H,12H2,1-2H3/b2*11-10+.
What are the key properties of [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol?
[2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol has a molecular weight of 508.66 g/mol, XLogP of 7.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-3-[(E)-2-(4-methylphenyl)ethenyl]phenyl]methanol is sourced from PubChem (CID 160865394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).