4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene

C16H22O — CID 168725011

IUPAC4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2CC2)cc1OCC1CC1
InChIInChI=1S/C16H22O/c1-11(2)15-8-7-14(13-5-6-13)9-16(15)17-10-12-3-4-12/h7-9,11-13H,3-6,10H2,1-2H3
InChIKeySDAHPUOXAPAKGM-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.48
Rot. Bonds5

About 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene

4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene (PubChem CID 168725011) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene
PubChem CID168725011
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2CC2)cc1OCC1CC1
InChIInChI=1S/C16H22O/c1-11(2)15-8-7-14(13-5-6-13)9-16(15)17-10-12-3-4-12/h7-9,11-13H,3-6,10H2,1-2H3
InChIKeySDAHPUOXAPAKGM-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
(1S)-1-[4-bromo-2-(cyclopropylmethoxy)phenyl]ethanamine
CID 102946973
4-(3-methoxy-4-propan-2-ylphenyl)-1-(3-methylbutyl)piperidine
CID 176934813
1-(cyclopropylmethoxy)-2-fluoro-3-propan-2-ylbenzene
CID 139460540
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
(1R)-1-[2-(cyclopropylmethoxy)phenyl]ethanol
CID 63364798
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)phenyl]cyclohexyl]methoxy]benzene
CID 154607154
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
4-(cyclopropylmethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 43560231

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene?
The IUPAC name of 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene (CID 168725011) is 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene.
What is the SMILES notation for 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene?
The canonical SMILES for 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene is CC(C)c1ccc(C2CC2)cc1OCC1CC1.
What is the InChIKey of 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene?
The InChIKey is SDAHPUOXAPAKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11(2)15-8-7-14(13-5-6-13)9-16(15)17-10-12-3-4-12/h7-9,11-13H,3-6,10H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene?
4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene has a molecular weight of 230.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(cyclopropylmethoxy)-1-propan-2-ylbenzene is sourced from PubChem (CID 168725011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).