1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol

C12H15ClO2 — CID 116712514

IUPAC1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-15-12(8-5-6-8)11(14)9-3-2-4-10(13)7-9/h2-4,7-8,11-12,14H,5-6H2,1H3
InChIKeyFPBCPDPBWHHUEL-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol

1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol (PubChem CID 116712514) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
PubChem CID116712514
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol
SMILESCOC(C1CC1)C(O)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClO2/c1-15-12(8-5-6-8)11(14)9-3-2-4-10(13)7-9/h2-4,7-8,11-12,14H,5-6H2,1H3
InChIKeyFPBCPDPBWHHUEL-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-methoxy-1-(3-methoxyphenyl)ethanol
CID 116712494
1-(3-chloro-4-methylphenyl)-2-cyclopropyl-2-methoxyethanol
CID 107560146
(1R,2R)-1-(3-chlorophenyl)-2-methoxypropane-1,3-diol
CID 124673100
1-(3-chlorophenyl)-2-cyclohexylethane-1,2-diol
CID 103459098
(1R)-1-(3-chlorophenyl)-2-methylpropan-1-ol
CID 93312224
2-cyclopropyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methoxyethanol
CID 107288626
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-2-methoxyethanol
CID 114727353
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
(3-chlorophenyl)methanediol
CID 20679602

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol?
The IUPAC name of 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol (CID 116712514) is 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol.
What is the SMILES notation for 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol?
The canonical SMILES for 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol is COC(C1CC1)C(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol?
The InChIKey is FPBCPDPBWHHUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-15-12(8-5-6-8)11(14)9-3-2-4-10(13)7-9/h2-4,7-8,11-12,14H,5-6H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol?
1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol has a molecular weight of 226.70 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-cyclopropyl-2-methoxyethanol is sourced from PubChem (CID 116712514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).