2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol

C19H22O2 — CID 141214780

IUPAC2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol
SMILESC=CCC(C)(O)c1cccc(Oc2cc(C)ccc2C)c1
InChIInChI=1S/C19H22O2/c1-5-11-19(4,20)16-7-6-8-17(13-16)21-18-12-14(2)9-10-15(18)3/h5-10,12-13,20H,1,11H2,2-4H3
InChIKeyRDLRPSXLDWHABE-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.88
Rot. Bonds5

About 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol

2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol (PubChem CID 141214780) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol.

Molecular Properties

Compound Name2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol
PubChem CID141214780
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol
SMILESC=CCC(C)(O)c1cccc(Oc2cc(C)ccc2C)c1
InChIInChI=1S/C19H22O2/c1-5-11-19(4,20)16-7-6-8-17(13-16)21-18-12-14(2)9-10-15(18)3/h5-10,12-13,20H,1,11H2,2-4H3
InChIKeyRDLRPSXLDWHABE-UHFFFAOYSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.88
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

1,4-dimethyl-2-[3-(2-prop-2-enoxybut-3-en-2-yl)phenoxy]benzene
CID 141214770
2-(3-tert-butylphenoxy)-4-methylaniline
CID 26189582
2-(3-fluorophenyl)pent-4-en-2-ol
CID 22086786
4-(4-methylphenyl)hepta-1,6-dien-4-ol
CID 12982478
2-(3-methoxyphenyl)-2-methylpent-4-enenitrile
CID 117049286
1,1-difluoro-1-iodo-2-(3-methoxyphenyl)pent-4-en-2-ol
CID 170551592
1,4-bis(2,5-dimethylphenoxy)-2-methylbenzene
CID 160687040
1-[3-(2,5-dimethylphenoxy)phenyl]butan-2-amine
CID 63941760
1-(2-methoxy-5-methylphenyl)-1-(3-methoxyphenyl)ethanol
CID 62795740
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
4-(2,5-dimethylphenoxy)benzoic acid
CID 22684928
3-(2-tert-butyl-5-methylphenoxy)aniline
CID 80752414

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol?
The IUPAC name of 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol (CID 141214780) is 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol.
What is the SMILES notation for 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol?
The canonical SMILES for 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol is C=CCC(C)(O)c1cccc(Oc2cc(C)ccc2C)c1.
What is the InChIKey of 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol?
The InChIKey is RDLRPSXLDWHABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-5-11-19(4,20)16-7-6-8-17(13-16)21-18-12-14(2)9-10-15(18)3/h5-10,12-13,20H,1,11H2,2-4H3.
What are the key properties of 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol?
2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol has a molecular weight of 282.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethylphenoxy)phenyl]pent-4-en-2-ol is sourced from PubChem (CID 141214780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).