1-(3-chlorophenyl)-4-phenoxybutan-2-ol

C16H17ClO2 — CID 60798521

IUPAC1-(3-chlorophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClO2/c17-14-6-4-5-13(11-14)12-15(18)9-10-19-16-7-2-1-3-8-16/h1-8,11,15,18H,9-10,12H2
InChIKeyCYMIFLMYJJDZHP-UHFFFAOYSA-N
MW276.76 g/mol
LogP3.71
Rot. Bonds6

About 1-(3-chlorophenyl)-4-phenoxybutan-2-ol

1-(3-chlorophenyl)-4-phenoxybutan-2-ol (PubChem CID 60798521) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-phenoxybutan-2-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-phenoxybutan-2-ol
PubChem CID60798521
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name1-(3-chlorophenyl)-4-phenoxybutan-2-ol
SMILESOC(CCOc1ccccc1)Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClO2/c17-14-6-4-5-13(11-14)12-15(18)9-10-19-16-7-2-1-3-8-16/h1-8,11,15,18H,9-10,12H2
InChIKeyCYMIFLMYJJDZHP-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-(4-chlorophenyl)-4-phenoxybutan-2-ol
CID 60798401
1-(3,4-difluorophenyl)-4-phenoxybutan-2-ol
CID 82920706
1-(3-chlorophenyl)-4-propan-2-yloxybutan-2-ol
CID 115000273
1-(2,4-dichlorophenyl)-4-phenoxybutan-2-ol
CID 62620850
1,5-diphenoxypentan-3-ol
CID 5314309
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
CID 14937130
1-(3-chlorophenyl)-3-phenoxypropan-2-amine
CID 55103537
1-amino-5-(3-chlorophenoxy)pentan-3-ol
CID 112508122
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762
2-(3-chlorophenyl)-4-phenoxybutan-1-ol
CID 79443608

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-phenoxybutan-2-ol?
The IUPAC name of 1-(3-chlorophenyl)-4-phenoxybutan-2-ol (CID 60798521) is 1-(3-chlorophenyl)-4-phenoxybutan-2-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-4-phenoxybutan-2-ol?
The canonical SMILES for 1-(3-chlorophenyl)-4-phenoxybutan-2-ol is OC(CCOc1ccccc1)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-phenoxybutan-2-ol?
The InChIKey is CYMIFLMYJJDZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c17-14-6-4-5-13(11-14)12-15(18)9-10-19-16-7-2-1-3-8-16/h1-8,11,15,18H,9-10,12H2.
What are the key properties of 1-(3-chlorophenyl)-4-phenoxybutan-2-ol?
1-(3-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-(3-chlorophenyl)-4-phenoxybutan-2-ol is sourced from PubChem (CID 60798521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).