2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol

C19H23ClO — CID 66257839

IUPAC2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
SMILESCCC(C)(C)c1ccc(C(O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClO/c1-4-19(2,3)16-10-8-15(9-11-16)18(21)13-14-6-5-7-17(20)12-14/h5-12,18,21H,4,13H2,1-3H3
InChIKeyAGZOHTBXOHCVEI-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.30
Rot. Bonds5

About 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol

2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol (PubChem CID 66257839) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
PubChem CID66257839
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol
SMILESCCC(C)(C)c1ccc(C(O)Cc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H23ClO/c1-4-19(2,3)16-10-8-15(9-11-16)18(21)13-14-6-5-7-17(20)12-14/h5-12,18,21H,4,13H2,1-3H3
InChIKeyAGZOHTBXOHCVEI-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 60797606
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1-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
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2-(3-chlorophenyl)-1-(3,5-dibromophenyl)ethanol
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(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
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1-(3-chlorophenyl)pentane-2,3-diol
CID 103454691
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
2-(3-chlorophenyl)-1-(1H-pyrrol-3-yl)ethanol
CID 63750366
2-(3-chlorophenyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 62503763
(3-chloro-5-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanol
CID 81316592
(2S)-3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905409

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol (CID 66257839) is 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol is CCC(C)(C)c1ccc(C(O)Cc2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol?
The InChIKey is AGZOHTBXOHCVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-4-19(2,3)16-10-8-15(9-11-16)18(21)13-14-6-5-7-17(20)12-14/h5-12,18,21H,4,13H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol?
2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol has a molecular weight of 302.85 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-(2-methylbutan-2-yl)phenyl]ethanol is sourced from PubChem (CID 66257839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).