1-(2-chloro-6-methoxyphenyl)propan-1-ol

C10H13ClO2 — CID 104817088

IUPAC1-(2-chloro-6-methoxyphenyl)propan-1-ol
SMILESCCC(O)c1c(Cl)cccc1OC
InChIInChI=1S/C10H13ClO2/c1-3-8(12)10-7(11)5-4-6-9(10)13-2/h4-6,8,12H,3H2,1-2H3
InChIKeyNBGAXSRJMZWVRO-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.79
Rot. Bonds3

About 1-(2-chloro-6-methoxyphenyl)propan-1-ol

1-(2-chloro-6-methoxyphenyl)propan-1-ol (PubChem CID 104817088) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)propan-1-ol
PubChem CID104817088
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name1-(2-chloro-6-methoxyphenyl)propan-1-ol
SMILESCCC(O)c1c(Cl)cccc1OC
InChIInChI=1S/C10H13ClO2/c1-3-8(12)10-7(11)5-4-6-9(10)13-2/h4-6,8,12H,3H2,1-2H3
InChIKeyNBGAXSRJMZWVRO-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxybenzyl alcohol
CID 69154
3-Chloro-2-methylanisole
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Benzenemethanol, alpha-ethyl-2-methoxy-
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2-Methoxy-alpha-methylbenzyl alcohol
CID 114538
(1R)-1-(2-methoxyphenyl)ethan-1-ol
CID 643317
2-Chloro-4-methoxytoluene
CID 6951757
(1S)-1-(2-methoxyphenyl)ethan-1-ol
CID 7058089
1-(2-Methoxyphenyl)-3-buten-1-ol
CID 221285
7-Chlorochroman-4-ol
CID 76851067
4 Chloro-2-methoxybenzyl alcohol
CID 3549393
(2,6-Dichloro-4-methoxyphenyl)methanol
CID 14484725
Benzenemethanol, ar-(2-propen-1-yloxy)-
CID 6438212

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)propan-1-ol (CID 104817088) is 1-(2-chloro-6-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)propan-1-ol is CCC(O)c1c(Cl)cccc1OC.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)propan-1-ol?
The InChIKey is NBGAXSRJMZWVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-3-8(12)10-7(11)5-4-6-9(10)13-2/h4-6,8,12H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)propan-1-ol?
1-(2-chloro-6-methoxyphenyl)propan-1-ol has a molecular weight of 200.66 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 104817088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).