acetic acid;3-prop-1-en-2-ylphenol

C11H14O3 — CID 71365863

IUPACacetic acid;3-prop-1-en-2-ylphenol
SMILESC=C(C)c1cccc(O)c1.CC(=O)O
InChIInChI=1S/C9H10O.C2H4O2/c1-7(2)8-4-3-5-9(10)6-8;1-2(3)4/h3-6,10H,1H2,2H3;1H3,(H,3,4)
InChIKeyAXISMUINTMGGMV-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.52
Rot. Bonds1

About acetic acid;3-prop-1-en-2-ylphenol

acetic acid;3-prop-1-en-2-ylphenol (PubChem CID 71365863) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is acetic acid;3-prop-1-en-2-ylphenol.

Molecular Properties

Compound Nameacetic acid;3-prop-1-en-2-ylphenol
PubChem CID71365863
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameacetic acid;3-prop-1-en-2-ylphenol
SMILESC=C(C)c1cccc(O)c1.CC(=O)O
InChIInChI=1S/C9H10O.C2H4O2/c1-7(2)8-4-3-5-9(10)6-8;1-2(3)4/h3-6,10H,1H2,2H3;1H3,(H,3,4)
InChIKeyAXISMUINTMGGMV-UHFFFAOYSA-N
XLogP2.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
3-(3-prop-1-en-2-ylphenyl)prop-2-enoic acid
CID 154271010
CID 174830791
CID 174830791
CID 66671873
CID 66671873
3-hydroxybenzoic acid;hydrochloride
CID 118389750
3-[3-(3-hydroxyphenyl)but-2-en-2-yl]phenol
CID 23766294
acetic acid;(3-hydroxyphenyl)-[4-(4-hydroxyphenyl)phenyl]methanone
CID 86741070
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
N-acetyl-3-hydroxybenzamide
CID 130011909
(E)-2-[[(E)-1-carboxy-2-(3-hydroxyphenyl)prop-1-enyl]disulfanyl]-3-(3-hydroxyphenyl)but-2-enoic acid
CID 3003829
acetic acid;phenol
CID 70537927
benzene-1,3-diol;benzoic acid
CID 53446063

Frequently Asked Questions

What is the IUPAC name of acetic acid;3-prop-1-en-2-ylphenol?
The IUPAC name of acetic acid;3-prop-1-en-2-ylphenol (CID 71365863) is acetic acid;3-prop-1-en-2-ylphenol.
What is the SMILES notation for acetic acid;3-prop-1-en-2-ylphenol?
The canonical SMILES for acetic acid;3-prop-1-en-2-ylphenol is C=C(C)c1cccc(O)c1.CC(=O)O.
What is the InChIKey of acetic acid;3-prop-1-en-2-ylphenol?
The InChIKey is AXISMUINTMGGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C2H4O2/c1-7(2)8-4-3-5-9(10)6-8;1-2(3)4/h3-6,10H,1H2,2H3;1H3,(H,3,4).
What are the key properties of acetic acid;3-prop-1-en-2-ylphenol?
acetic acid;3-prop-1-en-2-ylphenol has a molecular weight of 194.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;3-prop-1-en-2-ylphenol is sourced from PubChem (CID 71365863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).