(2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one

C18H26O3 — CID 6993745

IUPAC(2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one
SMILESCC[C@@H](C(=O)c1ccc(OC)cc1)C1CCC(OC)CC1
InChIInChI=1S/C18H26O3/c1-4-17(13-5-9-15(20-2)10-6-13)18(19)14-7-11-16(21-3)12-8-14/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3/t13?,15?,17-/m1/s1
InChIKeyGCZILQDAFLBKKH-PUJMQQBBSA-N
MW290.40 g/mol
LogP4.11
Rot. Bonds6

About (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one

(2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one (PubChem CID 6993745) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one
PubChem CID6993745
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one
SMILESCC[C@@H](C(=O)c1ccc(OC)cc1)C1CCC(OC)CC1
InChIInChI=1S/C18H26O3/c1-4-17(13-5-9-15(20-2)10-6-13)18(19)14-7-11-16(21-3)12-8-14/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3/t13?,15?,17-/m1/s1
InChIKeyGCZILQDAFLBKKH-PUJMQQBBSA-N
XLogP4.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one
CID 13175265
1-(4-methoxyphenyl)-2-methylbutan-1-one
CID 12600283
2,2-diethoxy-1-(4-methoxyphenyl)ethanone
CID 10130946
2-bromo-1-(4-methoxyphenyl)butan-1-one
CID 3156988
2-ethylsulfonyl-1-(4-methoxyphenyl)butan-1-one
CID 102549663
1-(4-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114518839
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
2-(aminomethyl)-1-(4-methoxyphenyl)butan-1-one
CID 116575155
2-ethyl-1-(4-methoxyphenyl)-3-phenylpropane-1,3-dione
CID 102585480
3-amino-3-cyclopropyl-1-(4-methoxyphenyl)propan-1-one
CID 116608794

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one?
The IUPAC name of (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one (CID 6993745) is (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one.
What is the SMILES notation for (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one?
The canonical SMILES for (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one is CC[C@@H](C(=O)c1ccc(OC)cc1)C1CCC(OC)CC1.
What is the InChIKey of (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one?
The InChIKey is GCZILQDAFLBKKH-PUJMQQBBSA-N. The full InChI is InChI=1S/C18H26O3/c1-4-17(13-5-9-15(20-2)10-6-13)18(19)14-7-11-16(21-3)12-8-14/h7-8,11-13,15,17H,4-6,9-10H2,1-3H3/t13?,15?,17-/m1/s1.
What are the key properties of (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one?
(2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one has a molecular weight of 290.40 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methoxycyclohexyl)-1-(4-methoxyphenyl)butan-1-one is sourced from PubChem (CID 6993745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).