1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid

C17H21ClO3 — CID 117493667

IUPAC1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(c(Cl)c2O)CCCC3)CCCCC1
InChIInChI=1S/C17H21ClO3/c18-14-12-7-3-2-6-11(12)10-13(15(14)19)17(16(20)21)8-4-1-5-9-17/h10,19H,1-9H2,(H,20,21)
InChIKeyJSRDHUHAXGWDGZ-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.21
Rot. Bonds2

About 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid

1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 117493667) has the molecular formula C17H21ClO3 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid
PubChem CID117493667
Molecular FormulaC17H21ClO3
Molecular Weight308.81 g/mol
Exact Mass308.12
IUPAC Name1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(c2cc3c(c(Cl)c2O)CCCC3)CCCCC1
InChIInChI=1S/C17H21ClO3/c18-14-12-7-3-2-6-11(12)10-13(15(14)19)17(16(20)21)8-4-1-5-9-17/h10,19H,1-9H2,(H,20,21)
InChIKeyJSRDHUHAXGWDGZ-UHFFFAOYSA-N
XLogP4.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-6-hydroxy-2,3-dihydro-1H-inden-5-yl)cyclobutane-1-carboxylic acid
CID 117495973
2-[1-(1-aminoethyl)cyclopropyl]-4-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117449103
1-(2-chloro-3-hydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117425482
1-(4-chloro-2,3-dihydroxyphenyl)cyclopentane-1-carboxylic acid
CID 117394993
1-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxylic acid
CID 117438542
1-(4-chloro-3-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)ethanone
CID 84700903
1-(5-chloro-3-ethyl-2-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117454406
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
1-(5-chloro-2,3-dimethylphenyl)cyclohexane-1-carboxylic acid
CID 117420844
1-(7-chloro-6-hydroxy-1,3-benzodioxol-5-yl)cyclobutane-1-carboxylic acid
CID 117429545
1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117438584

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid (CID 117493667) is 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid is O=C(O)C1(c2cc3c(c(Cl)c2O)CCCC3)CCCCC1.
What is the InChIKey of 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is JSRDHUHAXGWDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO3/c18-14-12-7-3-2-6-11(12)10-13(15(14)19)17(16(20)21)8-4-1-5-9-17/h10,19H,1-9H2,(H,20,21).
What are the key properties of 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid?
1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 308.81 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117493667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).