acetic acid;(3-chloro-4-methylphenyl)methanol

C10H13ClO3 — CID 71397051

IUPACacetic acid;(3-chloro-4-methylphenyl)methanol
SMILESCC(=O)O.Cc1ccc(CO)cc1Cl
InChIInChI=1S/C8H9ClO.C2H4O2/c1-6-2-3-7(5-10)4-8(6)9;1-2(3)4/h2-4,10H,5H2,1H3;1H3,(H,3,4)
InChIKeyGYDCSNANWQEGJU-UHFFFAOYSA-N
MW216.66 g/mol
LogP2.23
Rot. Bonds1

About acetic acid;(3-chloro-4-methylphenyl)methanol

acetic acid;(3-chloro-4-methylphenyl)methanol (PubChem CID 71397051) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is acetic acid;(3-chloro-4-methylphenyl)methanol.

Molecular Properties

Compound Nameacetic acid;(3-chloro-4-methylphenyl)methanol
PubChem CID71397051
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Nameacetic acid;(3-chloro-4-methylphenyl)methanol
SMILESCC(=O)O.Cc1ccc(CO)cc1Cl
InChIInChI=1S/C8H9ClO.C2H4O2/c1-6-2-3-7(5-10)4-8(6)9;1-2(3)4/h2-4,10H,5H2,1H3;1H3,(H,3,4)
InChIKeyGYDCSNANWQEGJU-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;(3-chloro-4-methylphenyl)methanol?
The IUPAC name of acetic acid;(3-chloro-4-methylphenyl)methanol (CID 71397051) is acetic acid;(3-chloro-4-methylphenyl)methanol.
What is the SMILES notation for acetic acid;(3-chloro-4-methylphenyl)methanol?
The canonical SMILES for acetic acid;(3-chloro-4-methylphenyl)methanol is CC(=O)O.Cc1ccc(CO)cc1Cl.
What is the InChIKey of acetic acid;(3-chloro-4-methylphenyl)methanol?
The InChIKey is GYDCSNANWQEGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C2H4O2/c1-6-2-3-7(5-10)4-8(6)9;1-2(3)4/h2-4,10H,5H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;(3-chloro-4-methylphenyl)methanol?
acetic acid;(3-chloro-4-methylphenyl)methanol has a molecular weight of 216.66 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(3-chloro-4-methylphenyl)methanol is sourced from PubChem (CID 71397051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).