[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol

C12H16O3 — CID 121001967

IUPAC[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
SMILESCOc1ccc([C@H]2CC2(CO)CO)cc1
InChIInChI=1S/C12H16O3/c1-15-10-4-2-9(3-5-10)11-6-12(11,7-13)8-14/h2-5,11,13-14H,6-8H2,1H3/t11-/m1/s1
InChIKeyZHWJLZVEACQCKJ-LLVKDONJSA-N
MW208.26 g/mol
LogP1.15
Rot. Bonds4

About [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol

[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol (PubChem CID 121001967) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
PubChem CID121001967
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol
SMILESCOc1ccc([C@H]2CC2(CO)CO)cc1
InChIInChI=1S/C12H16O3/c1-15-10-4-2-9(3-5-10)11-6-12(11,7-13)8-14/h2-5,11,13-14H,6-8H2,1H3/t11-/m1/s1
InChIKeyZHWJLZVEACQCKJ-LLVKDONJSA-N
XLogP1.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-2,2-dimethylcyclopentan-1-one
CID 102450234
1-methoxy-4-[(1R,2S)-2-(4-methoxyphenyl)-1-methylcyclopropyl]benzene
CID 778703
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
4-hydroxy-4-(hydroxymethyl)-5-(4-methoxyphenyl)cyclopent-2-en-1-one
CID 163397165
[2-(4-methoxyphenyl)-5-nitro-1,3-dioxan-5-yl]methanol
CID 12987112
1-methoxy-4-[(1S,2R)-2-[(1R,2S)-2-(4-methoxyphenyl)-1-nitrocyclopropyl]-2-nitrocyclopropyl]benzene
CID 101168610
[(1R,2R,3S)-2-(4-methoxyphenyl)-3-phenylcyclopropyl]methanol
CID 177492101
2-(4-methoxyphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158364
1-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 140736987
1-[(1S,2S)-2-(bromomethyl)-2-(trifluoromethyl)cyclopropyl]-4-methoxybenzene
CID 167116983
[1-(6-methoxynaphthalen-2-yl)-2-methylcyclopropyl]methanol
CID 116842587
cis-(1S,2S)-2-(4-methoxyphenyl)-1-phenylcyclopropane-1-carbonitrile
CID 135020770

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol?
The IUPAC name of [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol (CID 121001967) is [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol.
What is the SMILES notation for [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol?
The canonical SMILES for [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol is COc1ccc([C@H]2CC2(CO)CO)cc1.
What is the InChIKey of [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol?
The InChIKey is ZHWJLZVEACQCKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16O3/c1-15-10-4-2-9(3-5-10)11-6-12(11,7-13)8-14/h2-5,11,13-14H,6-8H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol?
[(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol has a molecular weight of 208.26 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(hydroxymethyl)-2-(4-methoxyphenyl)cyclopropyl]methanol is sourced from PubChem (CID 121001967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).