(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol

C16H26O3 — CID 124562849

IUPAC(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
SMILESCCCCCCC[C@@H](O)c1cccc(OC)c1OC
InChIInChI=1S/C16H26O3/c1-4-5-6-7-8-11-14(17)13-10-9-12-15(18-2)16(13)19-3/h9-10,12,14,17H,4-8,11H2,1-3H3/t14-/m1/s1
InChIKeyXYTCWAYNDPAMND-CQSZACIVSA-N
MW266.38 g/mol
LogP4.10
Rot. Bonds9

About (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol

(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol (PubChem CID 124562849) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol.

Molecular Properties

Compound Name(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
PubChem CID124562849
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
SMILESCCCCCCC[C@@H](O)c1cccc(OC)c1OC
InChIInChI=1S/C16H26O3/c1-4-5-6-7-8-11-14(17)13-10-9-12-15(18-2)16(13)19-3/h9-10,12,14,17H,4-8,11H2,1-3H3/t14-/m1/s1
InChIKeyXYTCWAYNDPAMND-CQSZACIVSA-N
XLogP4.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxynaphthalen-1-yl)octan-1-ol
CID 63426458
2-(2,3-dimethoxyphenyl)octanamide
CID 139684199
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232
1-(2,3-dimethoxyphenyl)-2-propoxyethanol
CID 79567810
2-[1-(2-hydroxy-3-methoxyphenyl)dodecyl]-6-methoxyphenol
CID 167458062
1-(2,3-dimethoxyphenyl)-2-ethoxyethanol
CID 79567811
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2,3-dimethoxyphenyl)-3-methylpentan-1-ol
CID 65151048
1-(2-methoxy-3,4-dimethylphenyl)decan-1-ol
CID 103435642
1-(2,3-dimethoxyphenyl)-N-methylpentan-1-amine
CID 105125537
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol?
The IUPAC name of (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol (CID 124562849) is (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol.
What is the SMILES notation for (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol?
The canonical SMILES for (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol is CCCCCCC[C@@H](O)c1cccc(OC)c1OC.
What is the InChIKey of (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol?
The InChIKey is XYTCWAYNDPAMND-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26O3/c1-4-5-6-7-8-11-14(17)13-10-9-12-15(18-2)16(13)19-3/h9-10,12,14,17H,4-8,11H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol?
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dimethoxyphenyl)octan-1-ol is sourced from PubChem (CID 124562849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).