2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid

C18H22O3 — CID 174514046

IUPAC2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid
SMILESCC(C)(CCc1cccc2ccccc12)CC(O)C(=O)O
InChIInChI=1S/C18H22O3/c1-18(2,12-16(19)17(20)21)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16,19H,10-12H2,1-2H3,(H,20,21)
InChIKeyKXHSVHSLSTYXEN-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.63
Rot. Bonds6

About 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid

2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid (PubChem CID 174514046) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid.

Molecular Properties

Compound Name2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid
PubChem CID174514046
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid
SMILESCC(C)(CCc1cccc2ccccc12)CC(O)C(=O)O
InChIInChI=1S/C18H22O3/c1-18(2,12-16(19)17(20)21)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16,19H,10-12H2,1-2H3,(H,20,21)
InChIKeyKXHSVHSLSTYXEN-UHFFFAOYSA-N
XLogP3.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 125469777
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CID 174648093
2-hydroxy-N-(2-naphthalen-1-ylethyl)propanamide
CID 115140997
2-(tert-butylsulfanylmethyl)-3-naphthalen-1-ylpropanoic acid
CID 23212908
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
bis[1-(dimethylamino)-3-naphthalen-1-yl-1-phenylpropyl] oxalate
CID 57113152
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
2-methyl-3-[methyl(2-naphthalen-1-ylethyl)amino]-3-oxopropanoic acid
CID 122099616
2-[methyl(3-naphthalen-1-ylpropyl)amino]propanoic acid;hydrochloride
CID 119913312
2-hydroxy-2-methyl-N-(2-naphthalen-1-ylethyl)propanamide
CID 115178963
tert-butyl (2S,3R)-2-amino-3-hydroxy-5-naphthalen-1-yl-3-(trifluoromethyl)pentanoate
CID 162410523

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid?
The IUPAC name of 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid (CID 174514046) is 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid.
What is the SMILES notation for 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid?
The canonical SMILES for 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid is CC(C)(CCc1cccc2ccccc12)CC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid?
The InChIKey is KXHSVHSLSTYXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-18(2,12-16(19)17(20)21)11-10-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16,19H,10-12H2,1-2H3,(H,20,21).
What are the key properties of 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid?
2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4,4-dimethyl-6-naphthalen-1-ylhexanoic acid is sourced from PubChem (CID 174514046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).