(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol

C18H28O2 — CID 64728664

IUPAC(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)C2CC(C)CC(C)C2)cc1
InChIInChI=1S/C18H28O2/c1-4-9-20-17-7-5-15(6-8-17)18(19)16-11-13(2)10-14(3)12-16/h5-8,13-14,16,18-19H,4,9-12H2,1-3H3
InChIKeyGPVUEPGRPNXNSI-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.58
Rot. Bonds5

About (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol

(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol (PubChem CID 64728664) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol
PubChem CID64728664
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)C2CC(C)CC(C)C2)cc1
InChIInChI=1S/C18H28O2/c1-4-9-20-17-7-5-15(6-8-17)18(19)16-11-13(2)10-14(3)12-16/h5-8,13-14,16,18-19H,4,9-12H2,1-3H3
InChIKeyGPVUEPGRPNXNSI-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-butoxyphenyl)-(oxan-4-yl)methanol
CID 105097491
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
1,4-diazabicyclo[2.2.2]octan-2-yl-(4-propoxyphenyl)methanol
CID 79969175
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
3-cyclopropyl-1-(4-propoxyphenyl)propan-1-ol
CID 106590416
2-(methylamino)-1-(4-propoxyphenyl)ethanol
CID 62772547
(4-cyclopropylphenyl)-(4-propoxyphenyl)methanol
CID 79970800
3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 64734777
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
(4-ethylphenyl)-(3-methylcyclopentyl)methanol
CID 65401353
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol?
The IUPAC name of (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol (CID 64728664) is (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)C2CC(C)CC(C)C2)cc1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol?
The InChIKey is GPVUEPGRPNXNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-4-9-20-17-7-5-15(6-8-17)18(19)16-11-13(2)10-14(3)12-16/h5-8,13-14,16,18-19H,4,9-12H2,1-3H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol?
(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol has a molecular weight of 276.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol is sourced from PubChem (CID 64728664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).