3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol

C17H26O2 — CID 64734777

IUPAC3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
SMILESCCCOc1ccc(C2(O)CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H26O2/c1-4-9-19-16-7-5-15(6-8-16)17(18)11-13(2)10-14(3)12-17/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyFADXLLRXKXNBJR-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.12
Rot. Bonds4

About 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol

3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol (PubChem CID 64734777) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
PubChem CID64734777
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
SMILESCCCOc1ccc(C2(O)CC(C)CC(C)C2)cc1
InChIInChI=1S/C17H26O2/c1-4-9-19-16-7-5-15(6-8-16)17(18)11-13(2)10-14(3)12-17/h5-8,13-14,18H,4,9-12H2,1-3H3
InChIKeyFADXLLRXKXNBJR-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(4-propoxyphenyl)cyclopentan-1-ol
CID 80561531
4-(4-propoxyphenyl)-1-propylpiperidin-4-ol
CID 62795398
(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol
CID 64728664
1-(4-ethoxyphenyl)-4-methylcyclohexan-1-ol
CID 62788999
3,4-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-amine
CID 64733003
2,2-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol
CID 79853464
pentyl 4-hydroxy-4-(4-propoxyphenyl)cyclohexane-1-carboxylate
CID 19986707
[4-(4-butoxyphenyl)-4-hydroxycyclohexyl] propyl carbonate
CID 173400108
4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
CID 65081135
1-(4-ethoxyphenyl)-2-methylcyclopropan-1-ol
CID 79332202
3-(4-ethoxyphenyl)-1,5-dimethylpyrrolidin-3-ol
CID 81468333
1-(1,2-dimethylcyclopropyl)-4-pentoxybenzene
CID 155310542

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol (CID 64734777) is 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol is CCCOc1ccc(C2(O)CC(C)CC(C)C2)cc1.
What is the InChIKey of 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol?
The InChIKey is FADXLLRXKXNBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-9-19-16-7-5-15(6-8-16)17(18)11-13(2)10-14(3)12-17/h5-8,13-14,18H,4,9-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol?
3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-propoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 64734777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).