3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol

C15H15ClO2 — CID 141037796

IUPAC3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol
SMILESOc1cccc(CCC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClO2/c16-13-5-2-4-12(10-13)15(18)8-7-11-3-1-6-14(17)9-11/h1-6,9-10,15,17-18H,7-8H2
InChIKeyFNMVXEQMRDJATF-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.71
Rot. Bonds4

About 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol

3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol (PubChem CID 141037796) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol
PubChem CID141037796
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol
SMILESOc1cccc(CCC(O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H15ClO2/c16-13-5-2-4-12(10-13)15(18)8-7-11-3-1-6-14(17)9-11/h1-6,9-10,15,17-18H,7-8H2
InChIKeyFNMVXEQMRDJATF-UHFFFAOYSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[3-(dimethylamino)phenyl]propan-1-ol
CID 70524074
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
1,3-bis(3-aminophenyl)propan-1-ol
CID 12932007
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
3-(3-chlorophenyl)-3-hydroxypropanenitrile
CID 13004554
3-(3-hydroxypentyl)phenol
CID 21193621
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
2-(3-bromophenyl)-1-(3-chlorophenyl)ethanol
CID 60797873
2-(3-chlorophenyl)-1-[3-(difluoromethyl)phenyl]ethanol
CID 115527783
1-(3-chlorophenyl)-2-[4-(4-methylphenyl)butan-2-ylamino]ethanol
CID 23322179

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol?
The IUPAC name of 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol (CID 141037796) is 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol.
What is the SMILES notation for 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol?
The canonical SMILES for 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol is Oc1cccc(CCC(O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol?
The InChIKey is FNMVXEQMRDJATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c16-13-5-2-4-12(10-13)15(18)8-7-11-3-1-6-14(17)9-11/h1-6,9-10,15,17-18H,7-8H2.
What are the key properties of 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol?
3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol has a molecular weight of 262.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)-3-hydroxypropyl]phenol is sourced from PubChem (CID 141037796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).