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

C15H16ClNO — CID 105131021

IUPAC(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccncc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-2-4-11-5-3-6-12(9-11)15(18)13-7-8-17-10-14(13)16/h3,5-10,15,18H,2,4H2,1H3
InChIKeyOYKSAXKDWRVWSC-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.77
Rot. Bonds4

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

(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol (PubChem CID 105131021) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
PubChem CID105131021
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol
SMILESCCCc1cccc(C(O)c2ccncc2Cl)c1
InChIInChI=1S/C15H16ClNO/c1-2-4-11-5-3-6-12(9-11)15(18)13-7-8-17-10-14(13)16/h3,5-10,15,18H,2,4H2,1H3
InChIKeyOYKSAXKDWRVWSC-UHFFFAOYSA-N
XLogP3.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-fluorophenyl)-(3-propylphenyl)methanol
CID 116543595
(3-propylphenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
CID 103129271
(3-chloro-4-pyridinyl)-(3,4-diethoxyphenyl)methanol
CID 105094409
(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
CID 116542736
N-[(3-chloro-4-pyridinyl)-(3-ethylphenyl)methyl]propan-1-amine
CID 105171205
(3-chlorothiophen-2-yl)-(3-propylphenyl)methanol
CID 115838108
(5-chloro-2-methoxyphenyl)-(3-propylphenyl)methanol
CID 115838131
N-[(3-fluoro-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 116544959
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
(1,3-dimethylpyrazol-4-yl)-(3-propylphenyl)methanol
CID 116542830
N-[(3-methyl-4-pyridinyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116545019
N-[(3-methoxy-4-pyridinyl)-(3-propylphenyl)methyl]ethanamine
CID 105066129

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol?
The IUPAC name of (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol (CID 105131021) is (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol.
What is the SMILES notation for (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol?
The canonical SMILES for (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol is CCCc1cccc(C(O)c2ccncc2Cl)c1.
What is the InChIKey of (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol?
The InChIKey is OYKSAXKDWRVWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-2-4-11-5-3-6-12(9-11)15(18)13-7-8-17-10-14(13)16/h3,5-10,15,18H,2,4H2,1H3.
What are the key properties of (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol?
(3-chloro-4-pyridinyl)-(3-propylphenyl)methanol has a molecular weight of 261.75 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-pyridinyl)-(3-propylphenyl)methanol is sourced from PubChem (CID 105131021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).