1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol

C14H20O2 — CID 117114461

IUPAC1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
SMILESCOC1(Cc2cccc(CC(C)O)c2)CC1
InChIInChI=1S/C14H20O2/c1-11(15)8-12-4-3-5-13(9-12)10-14(16-2)6-7-14/h3-5,9,11,15H,6-8,10H2,1-2H3
InChIKeyCOJYYYSVSMEKQY-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.33
Rot. Bonds5

About 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol

1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol (PubChem CID 117114461) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
PubChem CID117114461
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol
SMILESCOC1(Cc2cccc(CC(C)O)c2)CC1
InChIInChI=1S/C14H20O2/c1-11(15)8-12-4-3-5-13(9-12)10-14(16-2)6-7-14/h3-5,9,11,15H,6-8,10H2,1-2H3
InChIKeyCOJYYYSVSMEKQY-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(1-methoxycyclopropyl)methyl]phenyl]acetic acid
CID 117111536
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanamine
CID 117110925
1-(3-ethylphenyl)propan-2-ol
CID 85092525
2-[3-[(1-methoxycyclopropyl)methyl]phenyl]-N-methylethanamine
CID 117108037
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]ethanone
CID 117112075
1-[3-[(methoxyamino)methyl]phenyl]propan-2-ol
CID 117107385
1-[[3-(2-methoxypropyl)phenyl]methyl]cyclopropan-1-ol
CID 117117472
3-[3-[(1-methoxycyclopropyl)methyl]phenyl]-2,2-dimethylpropanoic acid
CID 117107914
1-[3-(2-methoxy-2-methylpropyl)phenyl]propan-2-ol
CID 117114454
1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
1-[3-(1-isocyanatocyclopropyl)phenyl]propan-2-ol
CID 117112487
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]cyclobutane-1-carboxylic acid
CID 117114251

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol?
The IUPAC name of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol (CID 117114461) is 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol?
The canonical SMILES for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol is COC1(Cc2cccc(CC(C)O)c2)CC1.
What is the InChIKey of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol?
The InChIKey is COJYYYSVSMEKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(15)8-12-4-3-5-13(9-12)10-14(16-2)6-7-14/h3-5,9,11,15H,6-8,10H2,1-2H3.
What are the key properties of 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol?
1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-methoxycyclopropyl)methyl]phenyl]propan-2-ol is sourced from PubChem (CID 117114461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).