(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol

C18H28O2 — CID 116754992

IUPAC(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)C2(OC)CCCC(C)C2)cc1
InChIInChI=1S/C18H28O2/c1-4-6-15-8-10-16(11-9-15)17(19)18(20-3)12-5-7-14(2)13-18/h8-11,14,17,19H,4-7,12-13H2,1-3H3
InChIKeyDEVPCCGFUSVKEX-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.27
Rot. Bonds5

About (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol

(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol (PubChem CID 116754992) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol.

Molecular Properties

Compound Name(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
PubChem CID116754992
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol
SMILESCCCc1ccc(C(O)C2(OC)CCCC(C)C2)cc1
InChIInChI=1S/C18H28O2/c1-4-6-15-8-10-16(11-9-15)17(19)18(20-3)12-5-7-14(2)13-18/h8-11,14,17,19H,4-7,12-13H2,1-3H3
InChIKeyDEVPCCGFUSVKEX-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
(1-methoxy-3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 116755079
(1-methoxy-3-methylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 114645878
1-(1-methoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116754943
1-(1-methoxy-3-methylcyclohexyl)-N-methyl-3-phenylpropan-1-amine
CID 116767746
2-(4-ethylphenyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylethanamine
CID 116767869
(2,4-difluorophenyl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 116754991
2-(2-chlorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanol
CID 116754964
(1-methoxy-3-methylcyclohexyl)-(5-propan-2-yloxy-3-pyridinyl)methanol
CID 116755046
1-[hydroxy-(4-propylphenyl)methyl]cycloheptan-1-ol
CID 103452040
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanol
CID 114645874
1-(1-ethoxy-3-methylcyclohexyl)-4-phenylbutan-1-ol
CID 116755271

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol?
The IUPAC name of (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol (CID 116754992) is (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol.
What is the SMILES notation for (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol?
The canonical SMILES for (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol is CCCc1ccc(C(O)C2(OC)CCCC(C)C2)cc1.
What is the InChIKey of (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol?
The InChIKey is DEVPCCGFUSVKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-6-15-8-10-16(11-9-15)17(19)18(20-3)12-5-7-14(2)13-18/h8-11,14,17,19H,4-7,12-13H2,1-3H3.
What are the key properties of (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol?
(1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol has a molecular weight of 276.42 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-3-methylcyclohexyl)-(4-propylphenyl)methanol is sourced from PubChem (CID 116754992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).