(4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone

C17H22O2 — CID 103451094

IUPAC(4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone
SMILESCC1CC=C(C(=O)c2ccccc2OC(C)C)CC1
InChIInChI=1S/C17H22O2/c1-12(2)19-16-7-5-4-6-15(16)17(18)14-10-8-13(3)9-11-14/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyOIQKYIDXHDZUQE-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.40
Rot. Bonds4

About (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone

(4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone (PubChem CID 103451094) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone
PubChem CID103451094
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name(4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone
SMILESCC1CC=C(C(=O)c2ccccc2OC(C)C)CC1
InChIInChI=1S/C17H22O2/c1-12(2)19-16-7-5-4-6-15(16)17(18)14-10-8-13(3)9-11-14/h4-7,10,12-13H,8-9,11H2,1-3H3
InChIKeyOIQKYIDXHDZUQE-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 103449936
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-propan-2-yloxybenzoyl chloride
CID 15921914
2,2,2-trichloro-1-(2-propan-2-yloxyphenyl)ethanone
CID 146008297
2,3-dihydro-1H-indol-5-yl-(2-propan-2-yloxyphenyl)methanone
CID 116554090
piperidin-3-yl-(2-propan-2-yloxyphenyl)methanone
CID 116547957
N-[(3S)-6-oxopiperidin-3-yl]-2-propan-2-yloxybenzamide
CID 95324961
(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
CID 105119937
[4-(dimethylamino)phenyl]-(2-propan-2-yloxyphenyl)methanone
CID 105119950
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
CID 116597562

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone?
The IUPAC name of (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone (CID 103451094) is (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone is CC1CC=C(C(=O)c2ccccc2OC(C)C)CC1.
What is the InChIKey of (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone?
The InChIKey is OIQKYIDXHDZUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12(2)19-16-7-5-4-6-15(16)17(18)14-10-8-13(3)9-11-14/h4-7,10,12-13H,8-9,11H2,1-3H3.
What are the key properties of (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone?
(4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexen-1-yl)-(2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 103451094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).