1-(4-chlorophenyl)-4-phenoxybutan-2-ol

C16H17ClO2 — CID 60798401

IUPAC1-(4-chlorophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClO2/c17-14-8-6-13(7-9-14)12-15(18)10-11-19-16-4-2-1-3-5-16/h1-9,15,18H,10-12H2
InChIKeyPCYZIBHJZZKFRA-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.71
Rot. Bonds6

About 1-(4-chlorophenyl)-4-phenoxybutan-2-ol

1-(4-chlorophenyl)-4-phenoxybutan-2-ol (PubChem CID 60798401) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-phenoxybutan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-phenoxybutan-2-ol
PubChem CID60798401
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(4-chlorophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClO2/c17-14-8-6-13(7-9-14)12-15(18)10-11-19-16-4-2-1-3-5-16/h1-9,15,18H,10-12H2
InChIKeyPCYZIBHJZZKFRA-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798521
1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
CID 82920706
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850
1,5-diphenoxypentan-3-ol
CID 5314309
1,3-bis(4-chlorophenyl)propan-2-ol
CID 19824078
(2S)-2-(4-chlorophenoxy)-4-phenoxybutanoic acid
CID 73347301
(1S)-1-(4-chlorophenyl)-3-phenoxypropan-1-amine
CID 51889884
1-(2-bromophenyl)-4-phenoxybutan-2-ol
CID 60798661
1-(5-ethyl-2-pyridinyl)-4-phenoxybutan-2-ol
CID 79745898
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
(3R)-1-phenoxyhexan-3-ol
CID 102063151
1,6-diphenylhexane-2,5-diol
CID 15072586

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-phenoxybutan-2-ol?
The IUPAC name of 1-(4-chlorophenyl)-4-phenoxybutan-2-ol (CID 60798401) is 1-(4-chlorophenyl)-4-phenoxybutan-2-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-4-phenoxybutan-2-ol?
The canonical SMILES for 1-(4-chlorophenyl)-4-phenoxybutan-2-ol is OC(CCOc1ccccc1)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-phenoxybutan-2-ol?
The InChIKey is PCYZIBHJZZKFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c17-14-8-6-13(7-9-14)12-15(18)10-11-19-16-4-2-1-3-5-16/h1-9,15,18H,10-12H2.
What are the key properties of 1-(4-chlorophenyl)-4-phenoxybutan-2-ol?
1-(4-chlorophenyl)-4-phenoxybutan-2-ol has a molecular weight of 276.76 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-phenoxybutan-2-ol is sourced from PubChem (CID 60798401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).