1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol

C17H19ClO — CID 63016247

IUPAC1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CCC(O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClO/c1-13-5-2-3-7-15(13)9-10-17(19)12-14-6-4-8-16(18)11-14/h2-8,11,17,19H,9-10,12H2,1H3
InChIKeyBQWBENRRMFSJON-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.18
Rot. Bonds5

About 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol

1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol (PubChem CID 63016247) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol
PubChem CID63016247
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol
SMILESCc1ccccc1CCC(O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19ClO/c1-13-5-2-3-7-15(13)9-10-17(19)12-14-6-4-8-16(18)11-14/h2-8,11,17,19H,9-10,12H2,1H3
InChIKeyBQWBENRRMFSJON-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 55149163
1-(3,5-dimethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105079612
1-(4-ethylphenyl)-4-(2-methylphenyl)butan-2-ol
CID 105080198
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 78910558
1-chloro-3-[2-(chloromethyl)-3-(2-methylphenyl)propyl]benzene
CID 66048137
4-(2-methylphenyl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 105084187
1-(3-chlorophenyl)-4-methylsulfanylbutan-2-ol
CID 63900166
1-(3-chlorophenyl)-4-propan-2-yloxybutan-2-ol
CID 115000273
1-(3-chlorophenyl)-3-naphthalen-1-ylpropan-2-ol
CID 62608540
1-(3-chlorophenyl)-5-methoxyhexan-2-ol
CID 105076733
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol (CID 63016247) is 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol is Cc1ccccc1CCC(O)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol?
The InChIKey is BQWBENRRMFSJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-13-5-2-3-7-15(13)9-10-17(19)12-14-6-4-8-16(18)11-14/h2-8,11,17,19H,9-10,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol?
1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol has a molecular weight of 274.79 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol is sourced from PubChem (CID 63016247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).