(4-heptoxy-3,5-dimethoxyphenyl)methanol

C16H26O4 — CID 43516772

IUPAC(4-heptoxy-3,5-dimethoxyphenyl)methanol
SMILESCCCCCCCOc1c(OC)cc(CO)cc1OC
InChIInChI=1S/C16H26O4/c1-4-5-6-7-8-9-20-16-14(18-2)10-13(12-17)11-15(16)19-3/h10-11,17H,4-9,12H2,1-3H3
InChIKeyLTVSNTHIHPQUOP-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.55
Rot. Bonds10

About (4-heptoxy-3,5-dimethoxyphenyl)methanol

(4-heptoxy-3,5-dimethoxyphenyl)methanol (PubChem CID 43516772) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4-heptoxy-3,5-dimethoxyphenyl)methanol.

Molecular Properties

Compound Name(4-heptoxy-3,5-dimethoxyphenyl)methanol
PubChem CID43516772
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name(4-heptoxy-3,5-dimethoxyphenyl)methanol
SMILESCCCCCCCOc1c(OC)cc(CO)cc1OC
InChIInChI=1S/C16H26O4/c1-4-5-6-7-8-9-20-16-14(18-2)10-13(12-17)11-15(16)19-3/h10-11,17H,4-9,12H2,1-3H3
InChIKeyLTVSNTHIHPQUOP-UHFFFAOYSA-N
XLogP3.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hexoxy-3,5-dimethoxyphenol
CID 10244041
2-(4-hexoxy-3,5-dimethoxyphenyl)acetic acid
CID 143268084
2-hexoxy-1,3,5-trimethoxybenzene
CID 54146903
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
(4-heptoxy-3,5-dimethylphenyl)methanol
CID 43129630
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
[3-[(3,5-dimethoxy-4-pentoxyphenyl)methylamino]phenyl]methanol
CID 10361113
(3-docosoxy-5-methoxyphenyl)methanol
CID 155440608
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
5-(chloromethyl)-1,2,3-tridodecoxybenzene
CID 66959757
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276

Frequently Asked Questions

What is the IUPAC name of (4-heptoxy-3,5-dimethoxyphenyl)methanol?
The IUPAC name of (4-heptoxy-3,5-dimethoxyphenyl)methanol (CID 43516772) is (4-heptoxy-3,5-dimethoxyphenyl)methanol.
What is the SMILES notation for (4-heptoxy-3,5-dimethoxyphenyl)methanol?
The canonical SMILES for (4-heptoxy-3,5-dimethoxyphenyl)methanol is CCCCCCCOc1c(OC)cc(CO)cc1OC.
What is the InChIKey of (4-heptoxy-3,5-dimethoxyphenyl)methanol?
The InChIKey is LTVSNTHIHPQUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-4-5-6-7-8-9-20-16-14(18-2)10-13(12-17)11-15(16)19-3/h10-11,17H,4-9,12H2,1-3H3.
What are the key properties of (4-heptoxy-3,5-dimethoxyphenyl)methanol?
(4-heptoxy-3,5-dimethoxyphenyl)methanol has a molecular weight of 282.38 g/mol, XLogP of 3.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-heptoxy-3,5-dimethoxyphenyl)methanol is sourced from PubChem (CID 43516772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).