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

C19H23NO2 — CID 10424723

IUPAC(3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
SMILESCOc1cccc(C(O)c2nc3c(cc2C)CCCCC3)c1
InChIInChI=1S/C19H23NO2/c1-13-11-14-7-4-3-5-10-17(14)20-18(13)19(21)15-8-6-9-16(12-15)22-2/h6,8-9,11-12,19,21H,3-5,7,10H2,1-2H3
InChIKeyLMHURLCYHAFJRT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.75
Rot. Bonds3

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

(3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol (PubChem CID 10424723) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol.

Molecular Properties

Compound Name(3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
PubChem CID10424723
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol
SMILESCOc1cccc(C(O)c2nc3c(cc2C)CCCCC3)c1
InChIInChI=1S/C19H23NO2/c1-13-11-14-7-4-3-5-10-17(14)20-18(13)19(21)15-8-6-9-16(12-15)22-2/h6,8-9,11-12,19,21H,3-5,7,10H2,1-2H3
InChIKeyLMHURLCYHAFJRT-UHFFFAOYSA-N
XLogP3.75
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The IUPAC name of (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol (CID 10424723) is (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol.
What is the SMILES notation for (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The canonical SMILES for (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol is COc1cccc(C(O)c2nc3c(cc2C)CCCCC3)c1.
What is the InChIKey of (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
The InChIKey is LMHURLCYHAFJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-11-14-7-4-3-5-10-17(14)20-18(13)19(21)15-8-6-9-16(12-15)22-2/h6,8-9,11-12,19,21H,3-5,7,10H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol?
(3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol has a molecular weight of 297.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)methanol is sourced from PubChem (CID 10424723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).