1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene

C15H18O — CID 147337600

IUPAC1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(OC2=CCCC=C2)c1
InChIInChI=1S/C15H18O/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14/h4,6-12H,3,5H2,1-2H3
InChIKeyDCVVAVMVROOZJP-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.42
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene

1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene (PubChem CID 147337600) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene
PubChem CID147337600
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(OC2=CCCC=C2)c1
InChIInChI=1S/C15H18O/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14/h4,6-12H,3,5H2,1-2H3
InChIKeyDCVVAVMVROOZJP-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
trans-[cyano-(3-cyclohexa-1,5-dien-1-yloxyphenyl)methyl] (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 140652811
CID 91869714
CID 91869714
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
2-(3-cyclohexa-1,5-dien-1-yloxyphenyl)-4-[3-[2-(3-phenoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 58692884
4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene
CID 162362054
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1,2-diisocyano-4-(3-propan-2-ylphenoxy)benzene
CID 123578088

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene (CID 147337600) is 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene is CC(C)c1cccc(OC2=CCCC=C2)c1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene?
The InChIKey is DCVVAVMVROOZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-12(2)13-7-6-10-15(11-13)16-14-8-4-3-5-9-14/h4,6-12H,3,5H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene?
1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene has a molecular weight of 214.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yloxy-3-propan-2-ylbenzene is sourced from PubChem (CID 147337600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).