1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid

C14H12O3 — CID 105485387

IUPAC1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3c(O)cccc3c2)CC1
InChIInChI=1S/C14H12O3/c15-12-3-1-2-9-8-10(4-5-11(9)12)14(6-7-14)13(16)17/h1-5,8,15H,6-7H2,(H,16,17)
InChIKeyHCZXVFJOKNTHBK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.66
Rot. Bonds2

About 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid

1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 105485387) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID105485387
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3c(O)cccc3c2)CC1
InChIInChI=1S/C14H12O3/c15-12-3-1-2-9-8-10(4-5-11(9)12)14(6-7-14)13(16)17/h1-5,8,15H,6-7H2,(H,16,17)
InChIKeyHCZXVFJOKNTHBK-UHFFFAOYSA-N
XLogP2.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 23568520
1-(2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117328645
1-(3-bromo-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 83731582
3-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 117050280
1-(6-bromo-2-hydroxynaphthalen-1-yl)cyclopropane-1-carboxylic acid
CID 117492146
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclopropane-1-carboxylic acid
CID 117328252
ethane;1-(3-hydroxy-4-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 143872791
1-(3-isocyanophenyl)cyclopropane-1-carboxylic acid
CID 123520093
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
tetrakis(naphthalen-1-ol);titanium
CID 18400436
1-[3-(4-methoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83556280
1-[3-(3-aminoprop-1-enyl)phenyl]cyclopropane-1-carboxylic acid
CID 169464255

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid (CID 105485387) is 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc3c(O)cccc3c2)CC1.
What is the InChIKey of 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is HCZXVFJOKNTHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-3-1-2-9-8-10(4-5-11(9)12)14(6-7-14)13(16)17/h1-5,8,15H,6-7H2,(H,16,17).
What are the key properties of 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid?
1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 105485387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).