3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol

C16H16O3 — CID 163025154

IUPAC3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol
SMILESCOc1c(C=CCc2ccccc2)ccc(O)c1O
InChIInChI=1S/C16H16O3/c1-19-16-13(10-11-14(17)15(16)18)9-5-8-12-6-3-2-4-7-12/h2-7,9-11,17-18H,8H2,1H3
InChIKeyFJBSNFVKUCFJSB-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.36
Rot. Bonds4

About 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol

3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol (PubChem CID 163025154) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol
PubChem CID163025154
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol
SMILESCOc1c(C=CCc2ccccc2)ccc(O)c1O
InChIInChI=1S/C16H16O3/c1-19-16-13(10-11-14(17)15(16)18)9-5-8-12-6-3-2-4-7-12/h2-7,9-11,17-18H,8H2,1H3
InChIKeyFJBSNFVKUCFJSB-UHFFFAOYSA-N
XLogP3.36
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dihydroxy-2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 137379047
7-methoxy-4-[(E)-3-phenylprop-1-enyl]quinoline
CID 70913061
5-[(Z)-3-(2-hydroxyphenyl)prop-2-enyl]-2,3,4-trimethoxyphenol
CID 90470263
ethane;[(E)-3-phenylprop-1-enyl]benzene
CID 143041114
2-hydroxy-4-methoxy-3-(3-methylbutyl)-6-(3-phenylprop-1-enyl)benzoic acid
CID 123629568
(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
CID 10473311
3-chloro-4-hydroxy-N-[[4-(3-phenylprop-1-enyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72513914
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
4-(4-phenylbut-2-enyl)phenol
CID 66608492
3-phenylprop-1-enylbenzene;tetrahydrofluoride
CID 174822249
4-[(E)-4-phenylbut-2-enyl]phenol
CID 66608491
1-methoxy-2-(4-phenylbut-2-enyl)benzene
CID 91447895

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol?
The IUPAC name of 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol (CID 163025154) is 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol.
What is the SMILES notation for 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol?
The canonical SMILES for 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol is COc1c(C=CCc2ccccc2)ccc(O)c1O.
What is the InChIKey of 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol?
The InChIKey is FJBSNFVKUCFJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-19-16-13(10-11-14(17)15(16)18)9-5-8-12-6-3-2-4-7-12/h2-7,9-11,17-18H,8H2,1H3.
What are the key properties of 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol?
3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol has a molecular weight of 256.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-phenylprop-1-enyl)benzene-1,2-diol is sourced from PubChem (CID 163025154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).