2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol

C14H19ClO2 — CID 117390108

IUPAC2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(OCC2CC2)c1Cl
InChIInChI=1S/C14H19ClO2/c1-14(2,9-16)11-4-3-5-12(13(11)15)17-8-10-6-7-10/h3-5,10,16H,6-9H2,1-2H3
InChIKeyGQUPZQBTOBTRPA-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.40
Rot. Bonds5

About 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol

2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol (PubChem CID 117390108) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol
PubChem CID117390108
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(OCC2CC2)c1Cl
InChIInChI=1S/C14H19ClO2/c1-14(2,9-16)11-4-3-5-12(13(11)15)17-8-10-6-7-10/h3-5,10,16H,6-9H2,1-2H3
InChIKeyGQUPZQBTOBTRPA-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol (CID 117390108) is 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1cccc(OCC2CC2)c1Cl.
What is the InChIKey of 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol?
The InChIKey is GQUPZQBTOBTRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-14(2,9-16)11-4-3-5-12(13(11)15)17-8-10-6-7-10/h3-5,10,16H,6-9H2,1-2H3.
What are the key properties of 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol?
2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(cyclopropylmethoxy)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117390108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).