1-(2-pentylphenyl)prop-2-en-1-ol

C14H20O — CID 68650021

IUPAC1-(2-pentylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccccc1CCCCC
InChIInChI=1S/C14H20O/c1-3-5-6-9-12-10-7-8-11-13(12)14(15)4-2/h4,7-8,10-11,14-15H,2-3,5-6,9H2,1H3
InChIKeyKBAJOGOGDFTOEC-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.64
Rot. Bonds6

About 1-(2-pentylphenyl)prop-2-en-1-ol

1-(2-pentylphenyl)prop-2-en-1-ol (PubChem CID 68650021) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(2-pentylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-pentylphenyl)prop-2-en-1-ol
PubChem CID68650021
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(2-pentylphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccccc1CCCCC
InChIInChI=1S/C14H20O/c1-3-5-6-9-12-10-7-8-11-13(12)14(15)4-2/h4,7-8,10-11,14-15H,2-3,5-6,9H2,1H3
InChIKeyKBAJOGOGDFTOEC-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-pentylbenzene
CID 22171756
1-(difluoromethyl)-2-pentylbenzene
CID 162568517
1-pentadecyl-2-propan-2-ylbenzene;sulfane
CID 174904763
1,3-didecyl-2-ethenylbenzene
CID 10572118
1,2-di(undecyl)benzene
CID 3019479
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-(2-hexadecylphenyl)heptadecan-1-amine
CID 70401648
1-butyl-2-[1-(2-butylphenyl)ethyl]benzene
CID 19828902
1,2-dihexylbenzene;hydrate
CID 172833093

Frequently Asked Questions

What is the IUPAC name of 1-(2-pentylphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(2-pentylphenyl)prop-2-en-1-ol (CID 68650021) is 1-(2-pentylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-pentylphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(2-pentylphenyl)prop-2-en-1-ol is C=CC(O)c1ccccc1CCCCC.
What is the InChIKey of 1-(2-pentylphenyl)prop-2-en-1-ol?
The InChIKey is KBAJOGOGDFTOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-3-5-6-9-12-10-7-8-11-13(12)14(15)4-2/h4,7-8,10-11,14-15H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(2-pentylphenyl)prop-2-en-1-ol?
1-(2-pentylphenyl)prop-2-en-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 68650021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).