benzene;4-prop-2-enoxybenzoic acid

C16H16O3 — CID 174857047

IUPACbenzene;4-prop-2-enoxybenzoic acid
SMILESC=CCOc1ccc(C(=O)O)cc1.c1ccccc1
InChIInChI=1S/C10H10O3.C6H6/c1-2-7-13-9-5-3-8(4-6-9)10(11)12;1-2-4-6-5-3-1/h2-6H,1,7H2,(H,11,12);1-6H
InChIKeyKYYGJMXWOMNPKZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.64
Rot. Bonds4

About benzene;4-prop-2-enoxybenzoic acid

benzene;4-prop-2-enoxybenzoic acid (PubChem CID 174857047) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is benzene;4-prop-2-enoxybenzoic acid.

Molecular Properties

Compound Namebenzene;4-prop-2-enoxybenzoic acid
PubChem CID174857047
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namebenzene;4-prop-2-enoxybenzoic acid
SMILESC=CCOc1ccc(C(=O)O)cc1.c1ccccc1
InChIInChI=1S/C10H10O3.C6H6/c1-2-7-13-9-5-3-8(4-6-9)10(11)12;1-2-4-6-5-3-1/h2-6H,1,7H2,(H,11,12);1-6H
InChIKeyKYYGJMXWOMNPKZ-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-4-(4-carboxyphenoxy)but-2-enoxy]benzoic acid
CID 90083122
4-hydroxybenzonitrile;4-prop-2-enoxybenzoic acid
CID 175377266
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
prop-2-enoic acid;prop-2-enoxybenzene
CID 174376278
3,5-bis(prop-2-enoxy)benzoic acid
CID 3313564
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
(E)-3-phenyl-1-(4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 19608879
4-(2-ethenoxyethoxy)benzoic acid
CID 15390034
2-methylbutyl 4-phenylbenzoate;4-prop-2-enoxybenzoic acid
CID 67724824
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
1-(4-prop-2-enoxyphenyl)butane-1,3-dione
CID 54091970

Frequently Asked Questions

What is the IUPAC name of benzene;4-prop-2-enoxybenzoic acid?
The IUPAC name of benzene;4-prop-2-enoxybenzoic acid (CID 174857047) is benzene;4-prop-2-enoxybenzoic acid.
What is the SMILES notation for benzene;4-prop-2-enoxybenzoic acid?
The canonical SMILES for benzene;4-prop-2-enoxybenzoic acid is C=CCOc1ccc(C(=O)O)cc1.c1ccccc1.
What is the InChIKey of benzene;4-prop-2-enoxybenzoic acid?
The InChIKey is KYYGJMXWOMNPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C6H6/c1-2-7-13-9-5-3-8(4-6-9)10(11)12;1-2-4-6-5-3-1/h2-6H,1,7H2,(H,11,12);1-6H.
What are the key properties of benzene;4-prop-2-enoxybenzoic acid?
benzene;4-prop-2-enoxybenzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-prop-2-enoxybenzoic acid is sourced from PubChem (CID 174857047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).