1-(4-propylphenyl)prop-2-en-1-ol

C12H16O — CID 83635929

IUPAC1-(4-propylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(CCC)cc1
InChIInChI=1S/C12H16O/c1-3-5-10-6-8-11(9-7-10)12(13)4-2/h4,6-9,12-13H,2-3,5H2,1H3
InChIKeyGGUKQEBTDQVCBQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-propylphenyl)prop-2-en-1-ol

1-(4-propylphenyl)prop-2-en-1-ol (PubChem CID 83635929) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(4-propylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-propylphenyl)prop-2-en-1-ol
PubChem CID83635929
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-(4-propylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(CCC)cc1
InChIInChI=1S/C12H16O/c1-3-5-10-6-8-11(9-7-10)12(13)4-2/h4,6-9,12-13H,2-3,5H2,1H3
InChIKeyGGUKQEBTDQVCBQ-UHFFFAOYSA-N
XLogP2.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)prop-2-en-1-ol
CID 10931590
1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol
CID 139885484
2-methyl-1-(4-propylphenyl)propane-1,2-diol
CID 103449002
4,4-dimethyl-1-(4-propylphenyl)pentan-1-ol
CID 114211492
(1S)-1-(4-bromophenyl)prop-2-en-1-ol
CID 25140431
1,2-bis(4-propylphenyl)ethane-1,2-dithiol
CID 101102622
2-(methylamino)-1-(4-propylphenyl)ethanol
CID 64988870
1-[4-(4-pentoxyphenyl)phenyl]prop-2-en-1-ol
CID 70442593
(4-propylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 65100284
(2-fluorophenyl)-(4-propylphenyl)methanol
CID 61087386
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
5-(4-propylphenyl)hexane-2,3-diol
CID 83921595

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(4-propylphenyl)prop-2-en-1-ol (CID 83635929) is 1-(4-propylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-propylphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-propylphenyl)prop-2-en-1-ol is C=CC(O)c1ccc(CCC)cc1.
What is the InChIKey of 1-(4-propylphenyl)prop-2-en-1-ol?
The InChIKey is GGUKQEBTDQVCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-5-10-6-8-11(9-7-10)12(13)4-2/h4,6-9,12-13H,2-3,5H2,1H3.
What are the key properties of 1-(4-propylphenyl)prop-2-en-1-ol?
1-(4-propylphenyl)prop-2-en-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 83635929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).