(3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol

C18H20ClNO — CID 10402625

IUPAC(3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
SMILESCc1cc2c(nc1C(O)c1cccc(Cl)c1)CCCCC2
InChIInChI=1S/C18H20ClNO/c1-12-10-13-6-3-2-4-9-16(13)20-17(12)18(21)14-7-5-8-15(19)11-14/h5,7-8,10-11,18,21H,2-4,6,9H2,1H3
InChIKeyNIWAJRFNJWTURW-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.39
Rot. Bonds2

About (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol

(3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol (PubChem CID 10402625) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
PubChem CID10402625
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name(3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
SMILESCc1cc2c(nc1C(O)c1cccc(Cl)c1)CCCCC2
InChIInChI=1S/C18H20ClNO/c1-12-10-13-6-3-2-4-9-16(13)20-17(12)18(21)14-7-5-8-15(19)11-14/h5,7-8,10-11,18,21H,2-4,6,9H2,1H3
InChIKeyNIWAJRFNJWTURW-UHFFFAOYSA-N
XLogP4.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)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-Methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-p-tolyl-methanol
CID 9882188
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
2,6-Diisopropyl-3-hydroxymethyl-4-(4-chlorophenyl)-5-pentylpyridine
CID 22005361
[3-(6-Chloro-2-pyridinyl)-2-methylphenyl]methanol
CID 137658185
alpha-Mono-n-butylaminomethyl-2,6-di[p-chlorophenyl]-4-pyridinemethanol
CID 630121
2-(6,7,8,9-Tetrahydro-5H-cyclohepta[b]pyrid-2-yl)-1-(4-methylphenyl)ethanol
CID 10039384
(3-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-(4-methylphenyl)methanol
CID 10332500
(4-methylphenyl)-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
CID 10355630
1-(6,7,8,9-tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-phenylmethanol
CID 10378303
1-(4-Trifluoromethylphenyl)-1-(6,7,8,9-tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)methanol
CID 10382295
1-(4-methylphenyl)-1-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)ethanol
CID 10402261
2,6-Diisopropyl-3-hydroxymethyl-4-(3-chlorophenyl)-5-pentylpyridine
CID 22005166

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol (CID 10402625) is (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol is Cc1cc2c(nc1C(O)c1cccc(Cl)c1)CCCCC2.
What is the InChIKey of (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The InChIKey is NIWAJRFNJWTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-10-13-6-3-2-4-9-16(13)20-17(12)18(21)14-7-5-8-15(19)11-14/h5,7-8,10-11,18,21H,2-4,6,9H2,1H3.
What are the key properties of (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
(3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol has a molecular weight of 301.82 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol is sourced from PubChem (CID 10402625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).