cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol

C18H28O2 — CID 134599366

IUPACcis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol
SMILESCc1ccccc1COC1C[C@@](O)(C(C)C)CC[C@H]1C
InChIInChI=1S/C18H28O2/c1-13(2)18(19)10-9-15(4)17(11-18)20-12-16-8-6-5-7-14(16)3/h5-8,13,15,17,19H,9-12H2,1-4H3/t15-,17?,18-/m1/s1
InChIKeyBQPTVRKDRSSIHT-NEBWYHTOSA-N
MW276.42 g/mol
LogP4.09
Rot. Bonds4

About cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol

cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol (PubChem CID 134599366) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol
PubChem CID134599366
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Namecis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol
SMILESCc1ccccc1COC1C[C@@](O)(C(C)C)CC[C@H]1C
InChIInChI=1S/C18H28O2/c1-13(2)18(19)10-9-15(4)17(11-18)20-12-16-8-6-5-7-14(16)3/h5-8,13,15,17,19H,9-12H2,1-4H3/t15-,17?,18-/m1/s1
InChIKeyBQPTVRKDRSSIHT-NEBWYHTOSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol 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

(1S,2R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 145185480
(1R,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 98049728
2,2,4-trimethyl-5-[(2-methylphenyl)methoxy]-1,3-dioxane
CID 70594186
(1S,2R,4R,5S)-1-methyl-2,5-bis[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571408
(1S,2R,4R,5S)-5-chloro-1-methyl-2-[(2-methylphenyl)methoxy]-4-propan-2-yl-7-oxabicyclo[2.2.1]heptane
CID 172571526
N-[2-[2-[(2-methylcyclohexyl)oxymethyl]phenyl]ethyl]propan-2-amine
CID 115464540
1-(2-methylcyclopentyl)-2-(2-methylphenyl)ethanol
CID 107183436
4-[(2-methylphenyl)methoxy]cyclohexan-1-amine
CID 62807392
6,6-dimethyl-3-[(2-methylphenyl)methoxy]-5-oxaspiro[3.4]octane
CID 70490295
3,4-dimethyl-1-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 64733363
4,7,7-trimethyl-3-[(2-methylphenyl)methoxy]-6-oxabicyclo[3.2.1]octan-4-ol
CID 141490838
1-methyl-2-[(2-methylphenyl)methyl]cycloheptane
CID 145268468

Frequently Asked Questions

What is the IUPAC name of cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol?
The IUPAC name of cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol (CID 134599366) is cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol is Cc1ccccc1COC1C[C@@](O)(C(C)C)CC[C@H]1C.
What is the InChIKey of cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol?
The InChIKey is BQPTVRKDRSSIHT-NEBWYHTOSA-N. The full InChI is InChI=1S/C18H28O2/c1-13(2)18(19)10-9-15(4)17(11-18)20-12-16-8-6-5-7-14(16)3/h5-8,13,15,17,19H,9-12H2,1-4H3/t15-,17?,18-/m1/s1.
What are the key properties of cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol?
cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,4R)-4-methyl-3-[(2-methylphenyl)methoxy]-1-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 134599366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).