[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol

C17H18ClNO — CID 114845625

IUPAC[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol
SMILESCC1Cc2ccccc2N(c2cc(Cl)ccc2CO)C1
InChIInChI=1S/C17H18ClNO/c1-12-8-13-4-2-3-5-16(13)19(10-12)17-9-15(18)7-6-14(17)11-20/h2-7,9,12,20H,8,10-11H2,1H3
InChIKeyIINVPSRECTZXNM-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.16
Rot. Bonds2

About [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol

[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol (PubChem CID 114845625) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol
PubChem CID114845625
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol
SMILESCC1Cc2ccccc2N(c2cc(Cl)ccc2CO)C1
InChIInChI=1S/C17H18ClNO/c1-12-8-13-4-2-3-5-16(13)19(10-12)17-9-15(18)7-6-14(17)11-20/h2-7,9,12,20H,8,10-11H2,1H3
InChIKeyIINVPSRECTZXNM-UHFFFAOYSA-N
XLogP4.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanol
CID 114845142
3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 106890411
1-[2-(bromomethyl)-3-chlorophenyl]-3-methyl-3,4-dihydro-2H-quinoline
CID 107083487
2-chloro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 63520501
1-(6-chloro-2-pyridinyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 63587479
[5-methyl-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanol
CID 80628620
[5-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanamine
CID 63551419
1-(3-chloro-2-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 104839024
4-bromo-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 65342629
N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
CID 114847408
1-(6-chloro-2-ethylpyrimidin-4-yl)-3-methyl-3,4-dihydro-2H-quinoline
CID 80935828
2-fluoro-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 79516134

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol?
The IUPAC name of [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol (CID 114845625) is [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol is CC1Cc2ccccc2N(c2cc(Cl)ccc2CO)C1.
What is the InChIKey of [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol?
The InChIKey is IINVPSRECTZXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-12-8-13-4-2-3-5-16(13)19(10-12)17-9-15(18)7-6-14(17)11-20/h2-7,9,12,20H,8,10-11H2,1H3.
What are the key properties of [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol?
[4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol has a molecular weight of 287.79 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]methanol is sourced from PubChem (CID 114845625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).