4-methyl-1-(3-methylphenyl)pent-4-en-1-ol

C13H18O — CID 114473799

IUPAC4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cccc(C)c1
InChIInChI=1S/C13H18O/c1-10(2)7-8-13(14)12-6-4-5-11(3)9-12/h4-6,9,13-14H,1,7-8H2,2-3H3
InChIKeyBDWNPZRVGAGJRC-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.38
Rot. Bonds4

About 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol

4-methyl-1-(3-methylphenyl)pent-4-en-1-ol (PubChem CID 114473799) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
PubChem CID114473799
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-methyl-1-(3-methylphenyl)pent-4-en-1-ol
SMILESC=C(C)CCC(O)c1cccc(C)c1
InChIInChI=1S/C13H18O/c1-10(2)7-8-13(14)12-6-4-5-11(3)9-12/h4-6,9,13-14H,1,7-8H2,2-3H3
InChIKeyBDWNPZRVGAGJRC-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.38
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

(1S)-4-imino-1-(3-methylphenyl)pentan-1-ol
CID 157258661
ethane;1-(3-methylphenyl)butan-1-ol
CID 143891671
1-(3-methylphenyl)decan-1-ol
CID 63411280
1,3-bis(3-methylphenyl)propan-1-ol
CID 105077889
1-(3-bromo-4-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834621
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
(1S)-1-(3-methylphenyl)but-3-en-1-ol
CID 15936639
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
4-methyl-1-pyridin-3-ylpent-4-en-1-ol
CID 114473785
1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
3-(3-methylbutoxy)-1-(3-methylphenyl)propan-1-ol
CID 115001890
1-(2-bromo-5-methylphenyl)-4-methylpent-4-en-1-ol
CID 115834630

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol?
The IUPAC name of 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol (CID 114473799) is 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol.
What is the SMILES notation for 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol?
The canonical SMILES for 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol is C=C(C)CCC(O)c1cccc(C)c1.
What is the InChIKey of 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol?
The InChIKey is BDWNPZRVGAGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)7-8-13(14)12-6-4-5-11(3)9-12/h4-6,9,13-14H,1,7-8H2,2-3H3.
What are the key properties of 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol?
4-methyl-1-(3-methylphenyl)pent-4-en-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylphenyl)pent-4-en-1-ol is sourced from PubChem (CID 114473799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).