2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol

C12H15ClO2 — CID 117326029

IUPAC2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
SMILESOCCc1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C12H15ClO2/c13-11-4-3-9(5-6-14)7-12(11)15-8-10-1-2-10/h3-4,7,10,14H,1-2,5-6,8H2
InChIKeyBRMCIHVIKUPSTH-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.66
Rot. Bonds5

About 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol

2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol (PubChem CID 117326029) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
PubChem CID117326029
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
SMILESOCCc1ccc(Cl)c(OCC2CC2)c1
InChIInChI=1S/C12H15ClO2/c13-11-4-3-9(5-6-14)7-12(11)15-8-10-1-2-10/h3-4,7,10,14H,1-2,5-6,8H2
InChIKeyBRMCIHVIKUPSTH-UHFFFAOYSA-N
XLogP2.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
O-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117327701
3-[[4-chloro-3-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449060
[3-chloro-4-(cyclobutylmethoxy)phenyl]methanol
CID 65459443
2-[4-(cyclohexylmethoxy)phenyl]ethanol
CID 113369507
4-chloro-3-[(1-methylpiperidin-4-yl)methoxy]aniline
CID 69019788
3-[4-chloro-3-(cyclopropylmethoxy)phenyl]sulfanylpropanoic acid
CID 155339699
2-[6-(piperidin-4-ylmethoxy)naphthalen-2-yl]ethanol
CID 170887467
3-chloro-4-(cyclopropylmethoxy)aniline
CID 19626993
4-[(2-chloro-5-methylphenoxy)methyl]piperidine
CID 26191031
3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
CID 117429960
2-[3-chloro-4-(thiolan-3-yl)phenyl]ethanol
CID 117358971

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol?
The IUPAC name of 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol (CID 117326029) is 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol is OCCc1ccc(Cl)c(OCC2CC2)c1.
What is the InChIKey of 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol?
The InChIKey is BRMCIHVIKUPSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-11-4-3-9(5-6-14)7-12(11)15-8-10-1-2-10/h3-4,7,10,14H,1-2,5-6,8H2.
What are the key properties of 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol?
2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol has a molecular weight of 226.70 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol is sourced from PubChem (CID 117326029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).