5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

C17H17ClO — CID 60865693

IUPAC5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(c2ccc(Cl)cc2)CCCCc2ccccc21
InChIInChI=1S/C17H17ClO/c18-15-10-8-14(9-11-15)17(19)12-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-11,19H,3-4,6,12H2
InChIKeyYGKFLZVBYGFOOZ-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.30
Rot. Bonds1

About 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol

5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 60865693) has the molecular formula C17H17ClO and a molecular weight of 272.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID60865693
Molecular FormulaC17H17ClO
Molecular Weight272.78 g/mol
Exact Mass272.10
IUPAC Name5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESOC1(c2ccc(Cl)cc2)CCCCc2ccccc21
InChIInChI=1S/C17H17ClO/c18-15-10-8-14(9-11-15)17(19)12-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-11,19H,3-4,6,12H2
InChIKeyYGKFLZVBYGFOOZ-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3,4-difluorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62800863
5-(4-propylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63406667
1-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 54356816
1-(3,4-difluorophenyl)-2,3-dihydroinden-1-ol
CID 62801026
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
5-methyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 15751789
1-(2-chloro-5-fluorophenyl)-3,4-dihydro-2H-naphthalen-1-ol
CID 105393720
5-(2,3-difluoro-4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 107512073
1-(3-chlorothiophen-2-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 107358956
1-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 63402869
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
5-(4-chloro-1-propylpyrazol-5-yl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 114633273

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 60865693) is 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is OC1(c2ccc(Cl)cc2)CCCCc2ccccc21.
What is the InChIKey of 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is YGKFLZVBYGFOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO/c18-15-10-8-14(9-11-15)17(19)12-4-3-6-13-5-1-2-7-16(13)17/h1-2,5,7-11,19H,3-4,6,12H2.
What are the key properties of 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol?
5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 272.78 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 60865693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).