2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol

C13H18O2 — CID 84674408

IUPAC2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C13H18O2/c1-13(2,14)11-4-3-5-12(8-11)15-9-10-6-7-10/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyKTRWMJGOPKFBPN-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.70
Rot. Bonds4

About 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol

2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol (PubChem CID 84674408) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
PubChem CID84674408
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C13H18O2/c1-13(2,14)11-4-3-5-12(8-11)15-9-10-6-7-10/h3-5,8,10,14H,6-7,9H2,1-2H3
InChIKeyKTRWMJGOPKFBPN-UHFFFAOYSA-N
XLogP2.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-amino-2-[3-(cyclopropylmethoxy)phenyl]butan-2-ol
CID 143948432
1-amino-1-[3-(cycloheptylmethoxy)phenyl]propan-1-ol
CID 141350221
1-cyclopropyl-1-(3-ethoxyphenyl)ethanol
CID 58452037
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
2-[(3-tert-butylphenoxy)methyl]oxirane
CID 22640892
cyclopropylmethoxybenzene
CID 12712156
(2R)-2-(3-ethoxyphenyl)butan-2-ol
CID 97048472
N-[[3-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 117283837
3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methoxy]phenol
CID 165429389
1-(3-ethoxyphenyl)-1-phenylethanol
CID 58452058
(2S)-2-(3-ethoxyphenyl)pentan-2-ol
CID 97048517

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol?
The IUPAC name of 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol (CID 84674408) is 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol is CC(C)(O)c1cccc(OCC2CC2)c1.
What is the InChIKey of 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol?
The InChIKey is KTRWMJGOPKFBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2,14)11-4-3-5-12(8-11)15-9-10-6-7-10/h3-5,8,10,14H,6-7,9H2,1-2H3.
What are the key properties of 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol?
2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol has a molecular weight of 206.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 84674408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).