(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol

C16H16ClFO — CID 116542736

IUPAC(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFO/c1-2-4-11-5-3-6-12(9-11)16(19)13-7-8-15(18)14(17)10-13/h3,5-10,16,19H,2,4H2,1H3
InChIKeyQPLADPRDDGSLPZ-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.51
Rot. Bonds4

About (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol

(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol (PubChem CID 116542736) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
PubChem CID116542736
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C16H16ClFO/c1-2-4-11-5-3-6-12(9-11)16(19)13-7-8-15(18)14(17)10-13/h3,5-10,16,19H,2,4H2,1H3
InChIKeyQPLADPRDDGSLPZ-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-propylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116542503
(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(4-ethylphenyl)-(3-propylphenyl)methanol
CID 116542443
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
(5-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542464
(4-methoxyphenyl)-(3-propylphenyl)methanol
CID 116542361
(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
(5-chloro-2-methoxyphenyl)-(3-propylphenyl)methanol
CID 115838131
(3-chloro-4-fluorophenyl)-(4-propan-2-ylphenyl)methanol
CID 63094658
(4-butan-2-ylphenyl)-(3-chloro-4-fluorophenyl)methanol
CID 82879198
(4-bromo-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116542467
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
CID 105131021

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol?
The IUPAC name of (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol (CID 116542736) is (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2ccc(F)c(Cl)c2)c1.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol?
The InChIKey is QPLADPRDDGSLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-2-4-11-5-3-6-12(9-11)16(19)13-7-8-15(18)14(17)10-13/h3,5-10,16,19H,2,4H2,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol?
(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol has a molecular weight of 278.75 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol is sourced from PubChem (CID 116542736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).