(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol

C15H15BrO2 — CID 113460969

IUPAC(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C15H15BrO2/c1-10-7-12(9-13(16)8-10)15(17)11-3-5-14(18-2)6-4-11/h3-9,15,17H,1-2H3
InChIKeyYPPOOPXANXSSEU-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.85
Rot. Bonds3

About (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol

(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol (PubChem CID 113460969) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol
PubChem CID113460969
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2cc(C)cc(Br)c2)cc1
InChIInChI=1S/C15H15BrO2/c1-10-7-12(9-13(16)8-10)15(17)11-3-5-14(18-2)6-4-11/h3-9,15,17H,1-2H3
InChIKeyYPPOOPXANXSSEU-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 79691470
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898
3-bromo-N-[1-(4-methoxyphenyl)ethyl]-5-methylaniline
CID 107582000
(4-iodophenyl)-(4-methoxyphenyl)methanol
CID 61098998
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 113460971
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
[3,5-bis(trifluoromethyl)phenyl]-(4-methoxyphenyl)methanol
CID 3625167
bis[4-(4-methoxy-N-methylanilino)phenyl]methanol
CID 139653192

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol (CID 113460969) is (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol is COc1ccc(C(O)c2cc(C)cc(Br)c2)cc1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol?
The InChIKey is YPPOOPXANXSSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-10-7-12(9-13(16)8-10)15(17)11-3-5-14(18-2)6-4-11/h3-9,15,17H,1-2H3.
What are the key properties of (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol?
(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol has a molecular weight of 307.19 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol is sourced from PubChem (CID 113460969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).