2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol

C13H18O3 — CID 116712494

IUPAC2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)C(OC)C2CC2)c1
InChIInChI=1S/C13H18O3/c1-15-11-5-3-4-10(8-11)12(14)13(16-2)9-6-7-9/h3-5,8-9,12-14H,6-7H2,1-2H3
InChIKeyNNRGPXVWOIKCEJ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.15
Rot. Bonds5

About 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol

2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol (PubChem CID 116712494) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
PubChem CID116712494
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)C(OC)C2CC2)c1
InChIInChI=1S/C13H18O3/c1-15-11-5-3-4-10(8-11)12(14)13(16-2)9-6-7-9/h3-5,8-9,12-14H,6-7H2,1-2H3
InChIKeyNNRGPXVWOIKCEJ-UHFFFAOYSA-N
XLogP2.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
CID 116712514
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-cyclopropyl-2-methoxy-1-pyridin-3-ylethanol
CID 116712495
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902
2-cyclohexyl-2-methoxy-1-(4-methoxyphenyl)ethanol
CID 116756367
2-cyclopropyl-1-(3,4-difluorophenyl)-2-methoxyethanol
CID 116712647
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
CID 107560146
(4-ethylcyclohexyl)-(3-methoxyphenyl)methanol
CID 64749539
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol (CID 116712494) is 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)C(OC)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol?
The InChIKey is NNRGPXVWOIKCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-11-5-3-4-10(8-11)12(14)13(16-2)9-6-7-9/h3-5,8-9,12-14H,6-7H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol?
2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 116712494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).