2-(4-propoxyphenyl)hex-5-en-2-ol

C15H22O2 — CID 104656350

IUPAC2-(4-propoxyphenyl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1ccc(OCCC)cc1
InChIInChI=1S/C15H22O2/c1-4-6-11-15(3,16)13-7-9-14(10-8-13)17-12-5-2/h4,7-10,16H,1,5-6,11-12H2,2-3H3
InChIKeyJINICDVPNRYOSC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.65
Rot. Bonds7

About 2-(4-propoxyphenyl)hex-5-en-2-ol

2-(4-propoxyphenyl)hex-5-en-2-ol (PubChem CID 104656350) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-propoxyphenyl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(4-propoxyphenyl)hex-5-en-2-ol
PubChem CID104656350
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-(4-propoxyphenyl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)c1ccc(OCCC)cc1
InChIInChI=1S/C15H22O2/c1-4-6-11-15(3,16)13-7-9-14(10-8-13)17-12-5-2/h4,7-10,16H,1,5-6,11-12H2,2-3H3
InChIKeyJINICDVPNRYOSC-UHFFFAOYSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.65
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

1-but-3-enoxy-4-tert-butylbenzene
CID 42600781
1-but-3-enoxy-4-[2-(4-but-3-enoxyphenyl)propan-2-yl]benzene
CID 59168492
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
1-(1,1-difluoroethyl)-4-(4-propoxyphenyl)benzene
CID 23188574
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
4,4,5,5,6,6,7,7,7-nonafluoro-2-(4-propoxyphenyl)heptan-2-ol
CID 156764535
1,1,1-trifluoro-2-(4-propoxyphenyl)butan-2-ol
CID 83957964
2-methyl-3-(4-propoxyphenyl)pentan-3-ol
CID 62796253
2-(4-chloro-3-methoxyphenyl)hex-5-en-2-ol
CID 104656196
1-but-3-enyl-4-[2-(4-propoxyphenyl)ethynyl]benzene
CID 139767186

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyphenyl)hex-5-en-2-ol?
The IUPAC name of 2-(4-propoxyphenyl)hex-5-en-2-ol (CID 104656350) is 2-(4-propoxyphenyl)hex-5-en-2-ol.
What is the SMILES notation for 2-(4-propoxyphenyl)hex-5-en-2-ol?
The canonical SMILES for 2-(4-propoxyphenyl)hex-5-en-2-ol is C=CCCC(C)(O)c1ccc(OCCC)cc1.
What is the InChIKey of 2-(4-propoxyphenyl)hex-5-en-2-ol?
The InChIKey is JINICDVPNRYOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-6-11-15(3,16)13-7-9-14(10-8-13)17-12-5-2/h4,7-10,16H,1,5-6,11-12H2,2-3H3.
What are the key properties of 2-(4-propoxyphenyl)hex-5-en-2-ol?
2-(4-propoxyphenyl)hex-5-en-2-ol has a molecular weight of 234.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyphenyl)hex-5-en-2-ol is sourced from PubChem (CID 104656350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).