1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid

C14H21ClO3 — CID 174551173

IUPAC1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid
SMILESCCCCCCl.Cc1ccccc1C(O)C(=O)O
InChIInChI=1S/C9H10O3.C5H11Cl/c1-6-4-2-3-5-7(6)8(10)9(11)12;1-2-3-4-5-6/h2-5,8,10H,1H3,(H,11,12);2-5H2,1H3
InChIKeyYYZOGMIXWMDAAE-UHFFFAOYSA-N
MW272.77 g/mol
LogP3.53
Rot. Bonds5

About 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid

1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid (PubChem CID 174551173) has the molecular formula C14H21ClO3 and a molecular weight of 272.77 g/mol. Its IUPAC name is 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid.

Molecular Properties

Compound Name1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid
PubChem CID174551173
Molecular FormulaC14H21ClO3
Molecular Weight272.77 g/mol
Exact Mass272.12
IUPAC Name1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid
SMILESCCCCCCl.Cc1ccccc1C(O)C(=O)O
InChIInChI=1S/C9H10O3.C5H11Cl/c1-6-4-2-3-5-7(6)8(10)9(11)12;1-2-3-4-5-6/h2-5,8,10H,1H3,(H,11,12);2-5H2,1H3
InChIKeyYYZOGMIXWMDAAE-UHFFFAOYSA-N
XLogP3.53
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-chloropropyl)-3-methylsulfanylphenyl]-2-hydroxyacetic acid
CID 118825421
acetic acid;(2-methylphenyl)methanediol
CID 71361235
1-chloropentane;2-methylbenzenesulfonic acid
CID 174931288
2-aminoacetic acid;1-chloropentane;phthalic acid
CID 175042010
2-[2-(3-chloropropyl)-3-iodophenyl]-2-hydroxyacetic acid
CID 134657421
3-ethoxy-2-(2-methylphenyl)-3-oxopropanoic acid
CID 103974778
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
2-chloro-2-(2-methylphenyl)acetic acid
CID 23338325
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578
1-methyl-2-octan-2-ylbenzene
CID 86190056
1-(1-chlorooctan-2-yl)-2-methylbenzene
CID 79419086
2-[2-(3-chloropropyl)-3-formylphenyl]-2-hydroxyacetic acid
CID 118808534

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid?
The IUPAC name of 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid (CID 174551173) is 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid.
What is the SMILES notation for 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid?
The canonical SMILES for 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid is CCCCCCl.Cc1ccccc1C(O)C(=O)O.
What is the InChIKey of 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid?
The InChIKey is YYZOGMIXWMDAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C5H11Cl/c1-6-4-2-3-5-7(6)8(10)9(11)12;1-2-3-4-5-6/h2-5,8,10H,1H3,(H,11,12);2-5H2,1H3.
What are the key properties of 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid?
1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid has a molecular weight of 272.77 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;2-hydroxy-2-(2-methylphenyl)acetic acid is sourced from PubChem (CID 174551173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).