4-[(Z)-prop-1-enyl]benzoic acid

C10H10O2 — CID 70130780

IUPAC4-[(Z)-prop-1-enyl]benzoic acid
SMILESC/C=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H10O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2-7H,1H3,(H,11,12)/b3-2-
InChIKeyYSJQODKIOLHJOC-IHWYPQMZSA-N
MW162.19 g/mol
LogP2.42
Rot. Bonds2

About 4-[(Z)-prop-1-enyl]benzoic acid

4-[(Z)-prop-1-enyl]benzoic acid (PubChem CID 70130780) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-[(Z)-prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-prop-1-enyl]benzoic acid
PubChem CID70130780
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name4-[(Z)-prop-1-enyl]benzoic acid
SMILESC/C=C\c1ccc(C(=O)O)cc1
InChIInChI=1S/C10H10O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2-7H,1H3,(H,11,12)/b3-2-
InChIKeyYSJQODKIOLHJOC-IHWYPQMZSA-N
XLogP2.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(Z)-2-[4-[(E)-2-(4-carboxyphenyl)ethenyl]phenyl]ethenyl]benzoic acid
CID 67828586
4-[(1E,3E)-4-(4-carboxyphenyl)buta-1,3-dienyl]benzoic acid
CID 20519037
4-[2-(4-methylphenyl)ethenyl]benzoic acid
CID 617184
ethyl 2-isocyanoacetate;4-[(E)-prop-1-enyl]benzoic acid
CID 91089518
4-prop-1-enylbenzenecarboperoxoic acid
CID 171324450
4-[(Z)-prop-1-enyl]benzenecarboperoxoic acid
CID 100897631
bis(prop-1-ene);terephthalic acid
CID 159254525
4-[(E)-2-[4-(methylcarbamoyl)phenyl]ethenyl]benzoic acid
CID 134941403
4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid
CID 59310556
4-[2-(4-carboxyphenyl)ethenyl]benzoic acid;methyl dihydrogen phosphate
CID 67852899
terephthalic acid
CID 160582437
ethene;prop-1-ene;terephthalic acid
CID 70629697

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-prop-1-enyl]benzoic acid?
The IUPAC name of 4-[(Z)-prop-1-enyl]benzoic acid (CID 70130780) is 4-[(Z)-prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-prop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(Z)-prop-1-enyl]benzoic acid is C/C=C\c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(Z)-prop-1-enyl]benzoic acid?
The InChIKey is YSJQODKIOLHJOC-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h2-7H,1H3,(H,11,12)/b3-2-.
What are the key properties of 4-[(Z)-prop-1-enyl]benzoic acid?
4-[(Z)-prop-1-enyl]benzoic acid has a molecular weight of 162.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-prop-1-enyl]benzoic acid is sourced from PubChem (CID 70130780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).