3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol

C14H19ClO3 — CID 117429960

IUPAC3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
SMILESCOc1cc(CCCO)c(Cl)cc1OCC1CC1
InChIInChI=1S/C14H19ClO3/c1-17-13-7-11(3-2-6-16)12(15)8-14(13)18-9-10-4-5-10/h7-8,10,16H,2-6,9H2,1H3
InChIKeyKMYNCNKNPVKRLX-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.06
Rot. Bonds7

About 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol

3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol (PubChem CID 117429960) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
PubChem CID117429960
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol
SMILESCOc1cc(CCCO)c(Cl)cc1OCC1CC1
InChIInChI=1S/C14H19ClO3/c1-17-13-7-11(3-2-6-16)12(15)8-14(13)18-9-10-4-5-10/h7-8,10,16H,2-6,9H2,1H3
InChIKeyKMYNCNKNPVKRLX-UHFFFAOYSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]ethanamine
CID 117392715
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
1-[[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]methyl]piperazine
CID 117495710
2-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-amine
CID 117427905
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]ethanol
CID 117318422
1-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-one
CID 117498472
3-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]propan-1-ol
CID 117363855
1-chloro-5-(cyclopropylmethoxy)-2-(1-isocyanatocyclobutyl)-4-methoxybenzene
CID 117492693
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
2-[4-chloro-3-(cyclopropylmethoxy)phenyl]ethanol
CID 117326029
4-(2-chloro-4-cyclopentyloxy-5-methoxyphenyl)butan-1-amine
CID 117479607
4-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-1,2-oxazol-5-amine
CID 117475333

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol?
The IUPAC name of 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol (CID 117429960) is 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol.
What is the SMILES notation for 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol?
The canonical SMILES for 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol is COc1cc(CCCO)c(Cl)cc1OCC1CC1.
What is the InChIKey of 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol?
The InChIKey is KMYNCNKNPVKRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-17-13-7-11(3-2-6-16)12(15)8-14(13)18-9-10-4-5-10/h7-8,10,16H,2-6,9H2,1H3.
What are the key properties of 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol?
3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol has a molecular weight of 270.76 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-1-ol is sourced from PubChem (CID 117429960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).