2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol

C18H21BrO2 — CID 66059875

IUPAC2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol
SMILESCOc1ccc(Br)cc1CC(CO)Cc1ccc(C)cc1
InChIInChI=1S/C18H21BrO2/c1-13-3-5-14(6-4-13)9-15(12-20)10-16-11-17(19)7-8-18(16)21-2/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyNMHBLYWSEGLFRA-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.16
Rot. Bonds6

About 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol

2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol (PubChem CID 66059875) has the molecular formula C18H21BrO2 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol
PubChem CID66059875
Molecular FormulaC18H21BrO2
Molecular Weight349.27 g/mol
Exact Mass348.07
IUPAC Name2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol
SMILESCOc1ccc(Br)cc1CC(CO)Cc1ccc(C)cc1
InChIInChI=1S/C18H21BrO2/c1-13-3-5-14(6-4-13)9-15(12-20)10-16-11-17(19)7-8-18(16)21-2/h3-8,11,15,20H,9-10,12H2,1-2H3
InChIKeyNMHBLYWSEGLFRA-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-benzyl-3-chloropropyl)-4-bromo-1-methoxybenzene
CID 66034057
4-bromo-2-[2-(bromomethyl)-3-(3-bromophenyl)propyl]-1-methoxybenzene
CID 66041326
2-benzyl-3-(3-bromo-4-methoxyphenyl)propan-1-ol
CID 66057473
2-[(5-bromo-2-methoxyphenyl)methyl]butan-1-amine
CID 62505917
3-(5-bromo-2-methoxyphenyl)-2-phenylpropan-1-ol
CID 66060063
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
4-bromo-2-[2-(bromomethyl)-3-(2-methylphenyl)propyl]-1-methoxybenzene
CID 66041337
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81320149
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-[(5-bromo-2-methoxyphenyl)methyl]pentan-1-amine
CID 62504322
1-(2,4-dibromophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947333

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol (CID 66059875) is 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol is COc1ccc(Br)cc1CC(CO)Cc1ccc(C)cc1.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol?
The InChIKey is NMHBLYWSEGLFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO2/c1-13-3-5-14(6-4-13)9-15(12-20)10-16-11-17(19)7-8-18(16)21-2/h3-8,11,15,20H,9-10,12H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol?
2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol has a molecular weight of 349.27 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)methyl]-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 66059875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).