3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol

C17H17BrO3 — CID 141387049

IUPAC3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol
SMILESC=C(Cc1cc(OC)cc(OC)c1)c1ccc(O)cc1Br
InChIInChI=1S/C17H17BrO3/c1-11(16-5-4-13(19)9-17(16)18)6-12-7-14(20-2)10-15(8-12)21-3/h4-5,7-10,19H,1,6H2,2-3H3
InChIKeyVZCWNSUMWANAJK-UHFFFAOYSA-N
MW349.22 g/mol
LogP4.43
Rot. Bonds5

About 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol

3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol (PubChem CID 141387049) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol.

Molecular Properties

Compound Name3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol
PubChem CID141387049
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol
SMILESC=C(Cc1cc(OC)cc(OC)c1)c1ccc(O)cc1Br
InChIInChI=1S/C17H17BrO3/c1-11(16-5-4-13(19)9-17(16)18)6-12-7-14(20-2)10-15(8-12)21-3/h4-5,7-10,19H,1,6H2,2-3H3
InChIKeyVZCWNSUMWANAJK-UHFFFAOYSA-N
XLogP4.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethoxyphenyl)prop-1-en-2-ol;ethane
CID 144585769
2-[2-(3,5-dimethoxyphenyl)ethyl]-5-[4-[2-(3,5-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870651
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-(2,4-dihydroxyphenyl)-2-(3-methoxyphenyl)ethanone
CID 15126648
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-(hydroperoxymethyl)-3,5-dimethoxybenzene
CID 89188233
3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenol
CID 54586280
4-bromo-3-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978304
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
1,3-dimethoxy-5-(3-methylidenepent-4-enyl)benzene
CID 144594995
1-(2-bromo-4-fluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 61078965
1-bromo-4-methoxy-2-methylbenzene;4-bromo-3-methylphenol;dichloromethane;ethane
CID 158293693

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol?
The IUPAC name of 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol (CID 141387049) is 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol.
What is the SMILES notation for 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol?
The canonical SMILES for 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol is C=C(Cc1cc(OC)cc(OC)c1)c1ccc(O)cc1Br.
What is the InChIKey of 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol?
The InChIKey is VZCWNSUMWANAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-11(16-5-4-13(19)9-17(16)18)6-12-7-14(20-2)10-15(8-12)21-3/h4-5,7-10,19H,1,6H2,2-3H3.
What are the key properties of 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol?
3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol has a molecular weight of 349.22 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[3-(3,5-dimethoxyphenyl)prop-1-en-2-yl]phenol is sourced from PubChem (CID 141387049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).