(E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol

C17H17BrO3 — CID 154711661

IUPAC(E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
SMILESCOc1ccc(Br)c(C(O)/C=C/c2ccccc2CO)c1
InChIInChI=1S/C17H17BrO3/c1-21-14-7-8-16(18)15(10-14)17(20)9-6-12-4-2-3-5-13(12)11-19/h2-10,17,19-20H,11H2,1H3/b9-6+
InChIKeyFZYGIMSGZQYCPJ-RMKNXTFCSA-N
MW349.22 g/mol
LogP3.70
Rot. Bonds5

About (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol

(E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol (PubChem CID 154711661) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
PubChem CID154711661
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name(E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol
SMILESCOc1ccc(Br)c(C(O)/C=C/c2ccccc2CO)c1
InChIInChI=1S/C17H17BrO3/c1-21-14-7-8-16(18)15(10-14)17(20)9-6-12-4-2-3-5-13(12)11-19/h2-10,17,19-20H,11H2,1H3/b9-6+
InChIKeyFZYGIMSGZQYCPJ-RMKNXTFCSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 13551345
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1-Bromo-2-ethyl-4-methoxybenzene
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4-[(Z)-7-(3-bromo-4-methoxyphenyl)-5-hydroxyhept-3-enyl]phenol
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(2-Bromo-5-methoxy-4-methylphenyl)methanol
CID 12243691
(6-Bromo-3-methoxy-2-methylphenyl)methanol
CID 66545090
[2-Bromo-5-(difluoromethoxy)phenyl]methanol
CID 81588952
1-(3-Methoxyphenyl)-4-phenylbutane-1,4-diol
CID 81134046
[3-[[2-Bromo-3-(3-fluorophenyl)phenyl]methoxy]phenyl]methanol
CID 162657005
1-bromo-2-[(E)-2-methoxyethenyl]-4-phenylmethoxybenzene
CID 172463253

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol (CID 154711661) is (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol is COc1ccc(Br)c(C(O)/C=C/c2ccccc2CO)c1.
What is the InChIKey of (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The InChIKey is FZYGIMSGZQYCPJ-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H17BrO3/c1-21-14-7-8-16(18)15(10-14)17(20)9-6-12-4-2-3-5-13(12)11-19/h2-10,17,19-20H,11H2,1H3/b9-6+.
What are the key properties of (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol?
(E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol has a molecular weight of 349.22 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-bromo-5-methoxyphenyl)-3-[2-(hydroxymethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 154711661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).