6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C19H22O — CID 63461795

IUPAC6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCc1ccccc1CC1CCCc2ccccc2C1O
InChIInChI=1S/C19H22O/c1-14-7-2-3-9-16(14)13-17-11-6-10-15-8-4-5-12-18(15)19(17)20/h2-5,7-9,12,17,19-20H,6,10-11,13H2,1H3
InChIKeyVZLMTMHBIJDRFA-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.22
Rot. Bonds2

About 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 63461795) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID63461795
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCc1ccccc1CC1CCCc2ccccc2C1O
InChIInChI=1S/C19H22O/c1-14-7-2-3-9-16(14)13-17-11-6-10-15-8-4-5-12-18(15)19(17)20/h2-5,7-9,12,17,19-20H,6,10-11,13H2,1H3
InChIKeyVZLMTMHBIJDRFA-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-hydroxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79422801
6-[(3-chlorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63460880
6-(3-fluoropropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 81114397
2-(hydroxymethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 12522311
6-[(E)-3-chloroprop-2-enyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 107900940
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
6-[2-(oxolan-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65166206
6-[(2-chloro-6-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 63459606
6-[2-(2-hydroxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79423614
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468
ethane;2-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 145337942
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2543063

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 63461795) is 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is Cc1ccccc1CC1CCCc2ccccc2C1O.
What is the InChIKey of 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is VZLMTMHBIJDRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-14-7-2-3-9-16(14)13-17-11-6-10-15-8-4-5-12-18(15)19(17)20/h2-5,7-9,12,17,19-20H,6,10-11,13H2,1H3.
What are the key properties of 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 266.38 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 63461795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).