5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C18H19ClO — CID 60799204

IUPAC5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2ccccc2Cl)CCCCc2ccccc21
InChIInChI=1S/C18H19ClO/c19-17-11-4-2-9-15(17)13-18(20)12-6-5-8-14-7-1-3-10-16(14)18/h1-4,7,9-11,20H,5-6,8,12-13H2
InChIKeyMHYDSFATGVVJRF-UHFFFAOYSA-N
MW286.80 g/mol
LogP4.50
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 60799204) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID60799204
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(Cc2ccccc2Cl)CCCCc2ccccc21
InChIInChI=1S/C18H19ClO/c19-17-11-4-2-9-15(17)13-18(20)12-6-5-8-14-7-1-3-10-16(14)18/h1-4,7,9-11,20H,5-6,8,12-13H2
InChIKeyMHYDSFATGVVJRF-UHFFFAOYSA-N
XLogP4.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-benzyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 43809316
4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66036109
5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 83173134
5-[(5-bromo-2-fluorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147148
5-but-3-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63656307
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
1-(hydroxymethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 11084449
1-(2-chlorophenyl)-N-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]methanesulfonamide
CID 95983164
1-(aminomethyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 12914859
5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 104801482
5-[(1-methylpyrazol-3-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 82870193
5-(2-methylbutyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147296

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 60799204) is 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is OC1(Cc2ccccc2Cl)CCCCc2ccccc21.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is MHYDSFATGVVJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c19-17-11-4-2-9-15(17)13-18(20)12-6-5-8-14-7-1-3-10-16(14)18/h1-4,7,9-11,20H,5-6,8,12-13H2.
What are the key properties of 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 286.80 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 60799204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).