1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol

C13H17ClO2 — CID 117354157

IUPAC1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C13H17ClO2/c1-9(15)6-11-7-12(14)4-5-13(11)16-8-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3
InChIKeyKADHEQMRIALSED-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.05
Rot. Bonds5

About 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol

1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol (PubChem CID 117354157) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
PubChem CID117354157
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
SMILESCC(O)Cc1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C13H17ClO2/c1-9(15)6-11-7-12(14)4-5-13(11)16-8-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3
InChIKeyKADHEQMRIALSED-UHFFFAOYSA-N
XLogP3.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
CID 117475696
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
2-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 84702232
4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320
6-[1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methylamino]ethyl]pyridazine-3-carboxamide
CID 57125891
1-[2-(cyclopropylmethoxy)-5-propan-2-ylphenyl]propan-2-amine;hydrochloride
CID 170894105
1-[4-bromo-3-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117459052
[(3S)-1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methylazanium
CID 177027719

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol?
The IUPAC name of 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol (CID 117354157) is 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol is CC(O)Cc1cc(Cl)ccc1OCC1CC1.
What is the InChIKey of 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol?
The InChIKey is KADHEQMRIALSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-9(15)6-11-7-12(14)4-5-13(11)16-8-10-2-3-10/h4-5,7,9-10,15H,2-3,6,8H2,1H3.
What are the key properties of 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol?
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol has a molecular weight of 240.73 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol is sourced from PubChem (CID 117354157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).