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

C14H21ClO2 — CID 104817044

IUPAC1-(2-chloro-6-methoxyphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1c(Cl)cccc1OC
InChIInChI=1S/C14H21ClO2/c1-3-4-5-6-9-12(16)14-11(15)8-7-10-13(14)17-2/h7-8,10,12,16H,3-6,9H2,1-2H3
InChIKeyGSGBCIWNGKTVPU-UHFFFAOYSA-N
MW256.77 g/mol
LogP4.35
Rot. Bonds7

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

1-(2-chloro-6-methoxyphenyl)heptan-1-ol (PubChem CID 104817044) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 1-(2-chloro-6-methoxyphenyl)heptan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-6-methoxyphenyl)heptan-1-ol
PubChem CID104817044
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name1-(2-chloro-6-methoxyphenyl)heptan-1-ol
SMILESCCCCCCC(O)c1c(Cl)cccc1OC
InChIInChI=1S/C14H21ClO2/c1-3-4-5-6-9-12(16)14-11(15)8-7-10-13(14)17-2/h7-8,10,12,16H,3-6,9H2,1-2H3
InChIKeyGSGBCIWNGKTVPU-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methoxybenzhydryl alcohol
CID 90839
3-Chloro-2-methylanisole
CID 76749
Benzenemethanol, alpha-ethyl-2-methoxy-
CID 24018
2-Methoxy-alpha-methylbenzyl alcohol
CID 114538
(1R)-1-(2-methoxyphenyl)ethan-1-ol
CID 643317
(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, 5-chloro-3-ethyl-2-methoxy-
CID 42034
3-(4-Chloro-2-propylphenoxy)propane-1,2-diol
CID 113939

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methoxyphenyl)heptan-1-ol?
The IUPAC name of 1-(2-chloro-6-methoxyphenyl)heptan-1-ol (CID 104817044) is 1-(2-chloro-6-methoxyphenyl)heptan-1-ol.
What is the SMILES notation for 1-(2-chloro-6-methoxyphenyl)heptan-1-ol?
The canonical SMILES for 1-(2-chloro-6-methoxyphenyl)heptan-1-ol is CCCCCCC(O)c1c(Cl)cccc1OC.
What is the InChIKey of 1-(2-chloro-6-methoxyphenyl)heptan-1-ol?
The InChIKey is GSGBCIWNGKTVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-3-4-5-6-9-12(16)14-11(15)8-7-10-13(14)17-2/h7-8,10,12,16H,3-6,9H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methoxyphenyl)heptan-1-ol?
1-(2-chloro-6-methoxyphenyl)heptan-1-ol has a molecular weight of 256.77 g/mol, XLogP of 4.35, 7 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)heptan-1-ol is sourced from PubChem (CID 104817044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).