2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol

C17H18O3 — CID 10849645

IUPAC2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol
SMILESC=C(c1cc(O)c(C)cc1O)C(OC)c1ccccc1
InChIInChI=1S/C17H18O3/c1-11-9-16(19)14(10-15(11)18)12(2)17(20-3)13-7-5-4-6-8-13/h4-10,17-19H,2H2,1,3H3
InChIKeyCFOCNCMHBWUETF-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.81
Rot. Bonds4

About 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol

2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol (PubChem CID 10849645) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol
PubChem CID10849645
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol
SMILESC=C(c1cc(O)c(C)cc1O)C(OC)c1ccccc1
InChIInChI=1S/C17H18O3/c1-11-9-16(19)14(10-15(11)18)12(2)17(20-3)13-7-5-4-6-8-13/h4-10,17-19H,2H2,1,3H3
InChIKeyCFOCNCMHBWUETF-UHFFFAOYSA-N
XLogP3.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-2-fluoro-1-methoxyprop-2-enyl]benzene
CID 129405321
2-methyl-5-prop-1-en-2-ylbenzene-1,4-diol
CID 10749539
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
2-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-2-phenylethanone
CID 116751452
CID 59883683
CID 59883683
1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one
CID 21331743
2-methoxy-2-phenylacetate
CID 4569340
(2R)-2-methoxy-2-phenylethanethioic S-acid
CID 10910184
methyl 2-methoxy-N,2-diphenylethanimidate
CID 23264164
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
1-methoxy-3,3-dimethyl-1-phenylbutan-2-one
CID 58533113
N-hydroxy-2-methoxy-2-phenylacetamide
CID 14200442

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol?
The IUPAC name of 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol (CID 10849645) is 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol.
What is the SMILES notation for 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol?
The canonical SMILES for 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol is C=C(c1cc(O)c(C)cc1O)C(OC)c1ccccc1.
What is the InChIKey of 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol?
The InChIKey is CFOCNCMHBWUETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-11-9-16(19)14(10-15(11)18)12(2)17(20-3)13-7-5-4-6-8-13/h4-10,17-19H,2H2,1,3H3.
What are the key properties of 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol?
2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol has a molecular weight of 270.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-phenylprop-1-en-2-yl)-5-methylbenzene-1,4-diol is sourced from PubChem (CID 10849645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).