3-(2-phenylethyl)hept-5-en-1-ol

C15H22O — CID 170009681

IUPAC3-(2-phenylethyl)hept-5-en-1-ol
SMILESCC=CCC(CCO)CCc1ccccc1
InChIInChI=1S/C15H22O/c1-2-3-7-15(12-13-16)11-10-14-8-5-4-6-9-14/h2-6,8-9,15-16H,7,10-13H2,1H3
InChIKeyOPSKESUOHGHHQI-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.58
Rot. Bonds7

About 3-(2-phenylethyl)hept-5-en-1-ol

3-(2-phenylethyl)hept-5-en-1-ol (PubChem CID 170009681) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-(2-phenylethyl)hept-5-en-1-ol.

Molecular Properties

Compound Name3-(2-phenylethyl)hept-5-en-1-ol
PubChem CID170009681
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3-(2-phenylethyl)hept-5-en-1-ol
SMILESCC=CCC(CCO)CCc1ccccc1
InChIInChI=1S/C15H22O/c1-2-3-7-15(12-13-16)11-10-14-8-5-4-6-9-14/h2-6,8-9,15-16H,7,10-13H2,1H3
InChIKeyOPSKESUOHGHHQI-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.58
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

(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
pent-3-enylbenzene
CID 519421
3-iodo-5-phenylpentan-1-ol
CID 72737270
7-(2-phenylethyl)hexadec-9-enoic acid
CID 162961291
3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
(Z,2R)-1-phenylmethoxyhex-4-en-2-ol
CID 10352950
1-[(E,3R)-1-phenylhept-5-en-3-yl]oxybutyl acetate
CID 177424890
(2S)-4-phenylbutan-2-amine
CID 6994564
3-prop-2-enylnonadecylbenzene
CID 173349260
2-aminopropan-1-ol;2-phenylethanol
CID 174837900
2-(ethoxymethyl)-4-phenylbutan-1-ol
CID 174416866

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)hept-5-en-1-ol?
The IUPAC name of 3-(2-phenylethyl)hept-5-en-1-ol (CID 170009681) is 3-(2-phenylethyl)hept-5-en-1-ol.
What is the SMILES notation for 3-(2-phenylethyl)hept-5-en-1-ol?
The canonical SMILES for 3-(2-phenylethyl)hept-5-en-1-ol is CC=CCC(CCO)CCc1ccccc1.
What is the InChIKey of 3-(2-phenylethyl)hept-5-en-1-ol?
The InChIKey is OPSKESUOHGHHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-3-7-15(12-13-16)11-10-14-8-5-4-6-9-14/h2-6,8-9,15-16H,7,10-13H2,1H3.
What are the key properties of 3-(2-phenylethyl)hept-5-en-1-ol?
3-(2-phenylethyl)hept-5-en-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)hept-5-en-1-ol is sourced from PubChem (CID 170009681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).