1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol

C16H24O3 — CID 103459031

IUPAC1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
SMILESCOc1ccc(C)cc1C(O)C(O)C1CCCCC1
InChIInChI=1S/C16H24O3/c1-11-8-9-14(19-2)13(10-11)16(18)15(17)12-6-4-3-5-7-12/h8-10,12,15-18H,3-7H2,1-2H3
InChIKeyTVDGPGGTPZDFRO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.98
Rot. Bonds4

About 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol

1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol (PubChem CID 103459031) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
PubChem CID103459031
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol
SMILESCOc1ccc(C)cc1C(O)C(O)C1CCCCC1
InChIInChI=1S/C16H24O3/c1-11-8-9-14(19-2)13(10-11)16(18)15(17)12-6-4-3-5-7-12/h8-10,12,15-18H,3-7H2,1-2H3
InChIKeyTVDGPGGTPZDFRO-UHFFFAOYSA-N
XLogP2.98
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)propan-1-ol
CID 82313684
2-(cyclopentylamino)-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 82313718
1-cyclohexyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 104753531
N-[cyclooctyl-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 65018169
2-cyclohexyl-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 79018516
3-amino-1-cyclopropyl-2-(2-methoxy-5-methylphenyl)propan-1-ol
CID 65185180
N-[cycloheptyl-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 63501845
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
(2-methoxy-5-methylphenyl)-pyrrolidin-2-ylmethanol
CID 64866825
2-(cyclopentylmethoxy)-1-(2-methoxy-5-methylphenyl)ethanol
CID 66324372
2-cyclopentyl-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 82933827

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol?
The IUPAC name of 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol (CID 103459031) is 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol.
What is the SMILES notation for 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol?
The canonical SMILES for 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol is COc1ccc(C)cc1C(O)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol?
The InChIKey is TVDGPGGTPZDFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11-8-9-14(19-2)13(10-11)16(18)15(17)12-6-4-3-5-7-12/h8-10,12,15-18H,3-7H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol?
1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol has a molecular weight of 264.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-methoxy-5-methylphenyl)ethane-1,2-diol is sourced from PubChem (CID 103459031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).