2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol

C13H18O3 — CID 117318422

IUPAC2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
SMILESCOc1cc(CCO)ccc1OCC1CC1
InChIInChI=1S/C13H18O3/c1-15-13-8-10(6-7-14)4-5-12(13)16-9-11-2-3-11/h4-5,8,11,14H,2-3,6-7,9H2,1H3
InChIKeyIDBJBJSYYCDPJX-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol (PubChem CID 117318422) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
PubChem CID117318422
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
SMILESCOc1cc(CCO)ccc1OCC1CC1
InChIInChI=1S/C13H18O3/c1-15-13-8-10(6-7-14)4-5-12(13)16-9-11-2-3-11/h4-5,8,11,14H,2-3,6-7,9H2,1H3
InChIKeyIDBJBJSYYCDPJX-UHFFFAOYSA-N
XLogP2.02
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(cyclopropylmethoxy)-3-methoxyphenyl]methyl]hydroxylamine
CID 117319960
2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117326029
1-[2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethyl]piperazine
CID 117469441
4-(bromomethyl)-1-(cyclopentylmethoxy)-2-methoxybenzene
CID 61343201
4-(chloromethyl)-2-(cyclopropylmethoxy)-1-methoxybenzene
CID 22456846
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propan-1-ol
CID 117345325
2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
CID 68603609
N-[[4-(cyclopentylmethoxy)-3-methoxyphenyl]methyl]cyclopropanamine
CID 61344979
N-[[3-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]cyclopropanamine
CID 43560119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol?
The IUPAC name of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol (CID 117318422) is 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol.
What is the SMILES notation for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol?
The canonical SMILES for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol is COc1cc(CCO)ccc1OCC1CC1.
What is the InChIKey of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol?
The InChIKey is IDBJBJSYYCDPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-15-13-8-10(6-7-14)4-5-12(13)16-9-11-2-3-11/h4-5,8,11,14H,2-3,6-7,9H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol?
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol has a molecular weight of 222.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol is sourced from PubChem (CID 117318422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).