1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol

C18H24O — CID 145135906

IUPAC1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol
SMILESCC1=CCCC=C1C(C)(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H24O/c1-13-9-10-16(11-15(13)3)12-18(4,19)17-8-6-5-7-14(17)2/h7-11,19H,5-6,12H2,1-4H3
InChIKeyKAPMADDGZVSLCY-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.26
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol

1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol (PubChem CID 145135906) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol
PubChem CID145135906
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol
SMILESCC1=CCCC=C1C(C)(O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C18H24O/c1-13-9-10-16(11-15(13)3)12-18(4,19)17-8-6-5-7-14(17)2/h7-11,19H,5-6,12H2,1-4H3
InChIKeyKAPMADDGZVSLCY-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(3,4-dimethylphenyl)propan-2-ol
CID 63406671
4-(2,2-dimethylpropyl)-1,2-dimethylbenzene;ethane
CID 157353786
4-[1-(3,4-dimethylphenyl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481701
1-(3,4-difluorophenyl)-2-(3,4-dimethylphenyl)propan-2-ol
CID 82920068
2-[(3,4-dimethylphenyl)methyl]-2-ethylpropane-1,3-diol
CID 79450388
1,2-dimethyl-4-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]benzene
CID 134199507
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-2-methylpropan-2-amine
CID 114833802
2-(3,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-ol
CID 65146874
4-[2-[(3,4-dimethylphenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1,2-dimethylbenzene
CID 126515390
1-[(3,4-dimethylphenyl)methyl-ethylamino]-2-methylpropan-2-ol
CID 79389462
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135358
2-[(3,4-dimethylphenyl)methyl]-2-methylpentanoic acid
CID 62739730

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol (CID 145135906) is 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol is CC1=CCCC=C1C(C)(O)Cc1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol?
The InChIKey is KAPMADDGZVSLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-13-9-10-16(11-15(13)3)12-18(4,19)17-8-6-5-7-14(17)2/h7-11,19H,5-6,12H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol?
1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(6-methylcyclohexa-1,5-dien-1-yl)propan-2-ol is sourced from PubChem (CID 145135906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).