(3-methoxy-2-nonoxyphenyl)methanol

C17H28O3 — CID 43471510

IUPAC(3-methoxy-2-nonoxyphenyl)methanol
SMILESCCCCCCCCCOc1c(CO)cccc1OC
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-13-20-17-15(14-18)11-10-12-16(17)19-2/h10-12,18H,3-9,13-14H2,1-2H3
InChIKeyYJUZLAQGWIKBHC-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.32
Rot. Bonds11

About (3-methoxy-2-nonoxyphenyl)methanol

(3-methoxy-2-nonoxyphenyl)methanol (PubChem CID 43471510) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is (3-methoxy-2-nonoxyphenyl)methanol.

Molecular Properties

Compound Name(3-methoxy-2-nonoxyphenyl)methanol
PubChem CID43471510
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name(3-methoxy-2-nonoxyphenyl)methanol
SMILESCCCCCCCCCOc1c(CO)cccc1OC
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-13-20-17-15(14-18)11-10-12-16(17)19-2/h10-12,18H,3-9,13-14H2,1-2H3
InChIKeyYJUZLAQGWIKBHC-UHFFFAOYSA-N
XLogP4.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.32
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-(chloromethyl)-3-methoxy-2-nonoxybenzene
CID 43471649
1-(chloromethyl)-2-decoxy-3-methoxybenzene
CID 63535867
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
[3-octoxy-2-[2-[2-(2-octoxyphenoxy)ethoxy]ethoxy]phenyl]methanol
CID 102217189
3-[(2-heptoxy-3-methoxyphenyl)methylamino]propan-1-ol
CID 54849124
(2-decoxy-3-methylphenyl)methanol
CID 115956202
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
(2-octoxyphenyl)methanol
CID 43128604

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-nonoxyphenyl)methanol?
The IUPAC name of (3-methoxy-2-nonoxyphenyl)methanol (CID 43471510) is (3-methoxy-2-nonoxyphenyl)methanol.
What is the SMILES notation for (3-methoxy-2-nonoxyphenyl)methanol?
The canonical SMILES for (3-methoxy-2-nonoxyphenyl)methanol is CCCCCCCCCOc1c(CO)cccc1OC.
What is the InChIKey of (3-methoxy-2-nonoxyphenyl)methanol?
The InChIKey is YJUZLAQGWIKBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-13-20-17-15(14-18)11-10-12-16(17)19-2/h10-12,18H,3-9,13-14H2,1-2H3.
What are the key properties of (3-methoxy-2-nonoxyphenyl)methanol?
(3-methoxy-2-nonoxyphenyl)methanol has a molecular weight of 280.41 g/mol, XLogP of 4.32, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-nonoxyphenyl)methanol is sourced from PubChem (CID 43471510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).