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

C18H21NO — CID 10378303

IUPAC(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol
SMILESCc1cc2c(nc1C(O)c1ccccc1)CCCCC2
InChIInChI=1S/C18H21NO/c1-13-12-15-10-6-3-7-11-16(15)19-17(13)18(20)14-8-4-2-5-9-14/h2,4-5,8-9,12,18,20H,3,6-7,10-11H2,1H3
InChIKeyLPRWGSDBXUZLEQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.74
Rot. Bonds2

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

(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol (PubChem CID 10378303) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol
PubChem CID10378303
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol
SMILESCc1cc2c(nc1C(O)c1ccccc1)CCCCC2
InChIInChI=1S/C18H21NO/c1-13-12-15-10-6-3-7-11-16(15)19-17(13)18(20)14-8-4-2-5-9-14/h2,4-5,8-9,12,18,20H,3,6-7,10-11H2,1H3
InChIKeyLPRWGSDBXUZLEQ-UHFFFAOYSA-N
XLogP3.74
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol?
The IUPAC name of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol (CID 10378303) is (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol.
What is the SMILES notation for (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol?
The canonical SMILES for (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol is Cc1cc2c(nc1C(O)c1ccccc1)CCCCC2.
What is the InChIKey of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol?
The InChIKey is LPRWGSDBXUZLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-12-15-10-6-3-7-11-16(15)19-17(13)18(20)14-8-4-2-5-9-14/h2,4-5,8-9,12,18,20H,3,6-7,10-11H2,1H3.
What are the key properties of (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol?
(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol has a molecular weight of 267.37 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)-phenylmethanol is sourced from PubChem (CID 10378303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).