[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol

C17H14ClNO2 — CID 65126437

IUPAC[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
SMILESOCc1cc(OCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H14ClNO2/c18-13-5-3-4-12(8-13)11-21-17-9-14(10-20)19-16-7-2-1-6-15(16)17/h1-9,20H,10-11H2
InChIKeyDFQSTGLOFSATPU-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.96
Rot. Bonds4

About [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol

[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol (PubChem CID 65126437) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
PubChem CID65126437
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol
SMILESOCc1cc(OCc2cccc(Cl)c2)c2ccccc2n1
InChIInChI=1S/C17H14ClNO2/c18-13-5-3-4-12(8-13)11-21-17-9-14(10-20)19-16-7-2-1-6-15(16)17/h1-9,20H,10-11H2
InChIKeyDFQSTGLOFSATPU-UHFFFAOYSA-N
XLogP3.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
[4-(furan-2-ylmethoxy)quinolin-2-yl]methanol
CID 55184161
[4-(2-chlorophenoxy)quinolin-2-yl]methanol
CID 63375932
[4-(2-methoxyethoxy)quinolin-2-yl]methanol
CID 63376021
4-[(3-chlorophenyl)methoxy]naphthalen-1-amine
CID 63690468
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
[3-[(3-chlorophenyl)methoxy]-4-pyridinyl]methanol
CID 105067190
2-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]-3H-quinazolin-4-one
CID 168551891
1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
CID 43505675
[6-chloro-5-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
CID 135358909
4-chloro-2-[2-(3-chlorophenyl)ethyl]quinoline
CID 23614355

Frequently Asked Questions

What is the IUPAC name of [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol?
The IUPAC name of [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol (CID 65126437) is [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol.
What is the SMILES notation for [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol?
The canonical SMILES for [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol is OCc1cc(OCc2cccc(Cl)c2)c2ccccc2n1.
What is the InChIKey of [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol?
The InChIKey is DFQSTGLOFSATPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c18-13-5-3-4-12(8-13)11-21-17-9-14(10-20)19-16-7-2-1-6-15(16)17/h1-9,20H,10-11H2.
What are the key properties of [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol?
[4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol has a molecular weight of 299.76 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-chlorophenyl)methoxy]quinolin-2-yl]methanol is sourced from PubChem (CID 65126437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).