1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol

C16H17BrO — CID 81488822

IUPAC1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccc(C)c(Br)c2)c1
InChIInChI=1S/C16H17BrO/c1-11-4-3-5-13(8-11)9-16(18)14-7-6-12(2)15(17)10-14/h3-8,10,16,18H,9H2,1-2H3
InChIKeyCNPFIVCGWKLJDF-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.34
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol

1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol (PubChem CID 81488822) has the molecular formula C16H17BrO and a molecular weight of 305.22 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
PubChem CID81488822
Molecular FormulaC16H17BrO
Molecular Weight305.22 g/mol
Exact Mass304.05
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)c2ccc(C)c(Br)c2)c1
InChIInChI=1S/C16H17BrO/c1-11-4-3-5-13(8-11)9-16(18)14-7-6-12(2)15(17)10-14/h3-8,10,16,18H,9H2,1-2H3
InChIKeyCNPFIVCGWKLJDF-UHFFFAOYSA-N
XLogP4.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(3-bromophenyl)ethanol
CID 81488750
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
1-(3-bromo-4-methylphenyl)-2-naphthalen-1-ylethanol
CID 81475739
1-(3-bromo-4-methylphenyl)-2-(2,3-dichlorophenyl)ethanol
CID 107307685
1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanol
CID 60798818
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 81476241
1-(4-bromo-3-methylphenyl)-2-phenylethanol
CID 81447483
2-(3-methylphenyl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756085
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 63021652
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol (CID 81488822) is 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)c2ccc(C)c(Br)c2)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol?
The InChIKey is CNPFIVCGWKLJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-11-4-3-5-13(8-11)9-16(18)14-7-6-12(2)15(17)10-14/h3-8,10,16,18H,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol?
1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol has a molecular weight of 305.22 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(3-methylphenyl)ethanol is sourced from PubChem (CID 81488822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).