2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol

C23H22O4 — CID 123691601

IUPAC2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol
SMILESCOc1cc(C=Cc2ccc(C(O)c3ccccc3O)cc2)cc(OC)c1
InChIInChI=1S/C23H22O4/c1-26-19-13-17(14-20(15-19)27-2)8-7-16-9-11-18(12-10-16)23(25)21-5-3-4-6-22(21)24/h3-15,23-25H,1-2H3
InChIKeyULMHXGFEOVQDTL-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.66
Rot. Bonds6

About 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol

2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol (PubChem CID 123691601) has the molecular formula C23H22O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol.

Molecular Properties

Compound Name2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol
PubChem CID123691601
Molecular FormulaC23H22O4
Molecular Weight362.43 g/mol
Exact Mass362.15
IUPAC Name2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol
SMILESCOc1cc(C=Cc2ccc(C(O)c3ccccc3O)cc2)cc(OC)c1
InChIInChI=1S/C23H22O4/c1-26-19-13-17(14-20(15-19)27-2)8-7-16-9-11-18(12-10-16)23(25)21-5-3-4-6-22(21)24/h3-15,23-25H,1-2H3
InChIKeyULMHXGFEOVQDTL-UHFFFAOYSA-N
XLogP4.66
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.66
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

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
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]naphthalene
CID 44563763
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
3-[(E)-2-(2-hydroxyphenyl)ethenyl]-5-methoxyphenol
CID 102318988
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178
4-[(E)-2-(3-methoxy-5-methylphenyl)ethenyl]phenol
CID 58288557
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 90702066
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol?
The IUPAC name of 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol (CID 123691601) is 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol.
What is the SMILES notation for 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol?
The canonical SMILES for 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol is COc1cc(C=Cc2ccc(C(O)c3ccccc3O)cc2)cc(OC)c1.
What is the InChIKey of 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol?
The InChIKey is ULMHXGFEOVQDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O4/c1-26-19-13-17(14-20(15-19)27-2)8-7-16-9-11-18(12-10-16)23(25)21-5-3-4-6-22(21)24/h3-15,23-25H,1-2H3.
What are the key properties of 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol?
2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol has a molecular weight of 362.43 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-hydroxymethyl]phenol is sourced from PubChem (CID 123691601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).