1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene

C16H20 — CID 151613800

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene
SMILESCC(CC1(C)C=CC=CC1)c1ccccc1
InChIInChI=1S/C16H20/c1-14(15-9-5-3-6-10-15)13-16(2)11-7-4-8-12-16/h3-11,14H,12-13H2,1-2H3
InChIKeyQNBHCBCEIWQCLO-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.70
Rot. Bonds3

About 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene

1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene (PubChem CID 151613800) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene
PubChem CID151613800
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene
SMILESCC(CC1(C)C=CC=CC1)c1ccccc1
InChIInChI=1S/C16H20/c1-14(15-9-5-3-6-10-15)13-16(2)11-7-4-8-12-16/h3-11,14H,12-13H2,1-2H3
InChIKeyQNBHCBCEIWQCLO-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1-methylcyclohexa-2,4-dien-1-yl)-phenylmethanol
CID 71773988
(R)-[(1S)-1-methylcyclohexa-2,4-dien-1-yl]-phenylmethanol
CID 97049928
(E)-but-2-enedioic acid;N-[2-(1-methylcyclohexa-2,4-dien-1-yl)ethyl]-3,3-diphenylpropan-1-amine
CID 88639986
[2-(1-ethenylcyclohexa-2,4-dien-1-yl)-1-phenylethyl]benzene
CID 175202770
1-(1-methylcyclohexa-2,4-dien-1-yl)-N-(1-phenylethyl)methanimine
CID 67642916
1-(2-phenylpropyl)cyclopentan-1-ol
CID 173409519
methyl (2R,3S)-3-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]-3-phenyl-2-triethylsilyloxypropanoate
CID 139640695
3-fluoro-3-(2-phenylpropyl)azetidine
CID 130835142
(3R)-3-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]-3-naphthalen-2-ylpropanoic acid
CID 139640706
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
1-benzhydrylcyclohexa-2,4-diene-1-carboxylic acid
CID 175775903
N-(1-methylcyclohexa-2,4-dien-1-yl)-N-phenylaniline
CID 70954044

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene (CID 151613800) is 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene is CC(CC1(C)C=CC=CC1)c1ccccc1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene?
The InChIKey is QNBHCBCEIWQCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-14(15-9-5-3-6-10-15)13-16(2)11-7-4-8-12-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene?
1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)propan-2-ylbenzene is sourced from PubChem (CID 151613800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).