1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid

C14H16O3 — CID 117336247

IUPAC1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(O)ccc3c2CCCC3)CC1
InChIInChI=1S/C14H16O3/c15-11-6-5-9-3-1-2-4-10(9)12(11)14(7-8-14)13(16)17/h5-6,15H,1-4,7-8H2,(H,16,17)
InChIKeyCVWNMKABGIAFKM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.39
Rot. Bonds2

About 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid

1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 117336247) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid
PubChem CID117336247
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2c(O)ccc3c2CCCC3)CC1
InChIInChI=1S/C14H16O3/c15-11-6-5-9-3-1-2-4-10(9)12(11)14(7-8-14)13(16)17/h5-6,15H,1-4,7-8H2,(H,16,17)
InChIKeyCVWNMKABGIAFKM-UHFFFAOYSA-N
XLogP2.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-hydroxy-1,3-dihydro-2-benzofuran-4-yl)cyclopentane-1-carboxylic acid
CID 117373233
1-(2-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopentane-1-carboxylic acid
CID 117438536
1-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclohexane-1-carboxylic acid
CID 117438542
1-(5-methoxy-2,3-dihydro-1H-inden-4-yl)cyclohexane-1-carboxylic acid
CID 117438562
1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84781133
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(1-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117438584
4-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 142874323
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;sulfane
CID 134611635
1-(2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117328645
1-(4-methoxy-2,3-dihydro-1H-inden-5-yl)cyclopentane-1-carboxylic acid
CID 117405081
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid (CID 117336247) is 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2c(O)ccc3c2CCCC3)CC1.
What is the InChIKey of 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is CVWNMKABGIAFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-11-6-5-9-3-1-2-4-10(9)12(11)14(7-8-14)13(16)17/h5-6,15H,1-4,7-8H2,(H,16,17).
What are the key properties of 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid?
1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117336247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).