4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane

C18H32O4 — CID 71151145

IUPAC4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
SMILESCCCCCOCCCCC.COc1cc(CO)ccc1O
InChIInChI=1S/C10H22O.C8H10O3/c1-3-5-7-9-11-10-8-6-4-2;1-11-8-4-6(5-9)2-3-7(8)10/h3-10H2,1-2H3;2-4,9-10H,5H2,1H3
InChIKeyRPHONJNCVWDZBE-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.28
Rot. Bonds10

About 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane

4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane (PubChem CID 71151145) has the molecular formula C18H32O4 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane.

Molecular Properties

Compound Name4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
PubChem CID71151145
Molecular FormulaC18H32O4
Molecular Weight312.45 g/mol
Exact Mass312.23
IUPAC Name4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
SMILESCCCCCOCCCCC.COc1cc(CO)ccc1O
InChIInChI=1S/C10H22O.C8H10O3/c1-3-5-7-9-11-10-8-6-4-2;1-11-8-4-6(5-9)2-3-7(8)10/h3-10H2,1-2H3;2-4,9-10H,5H2,1H3
InChIKeyRPHONJNCVWDZBE-UHFFFAOYSA-N
XLogP4.28
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(hydroxymethyl)-2-methoxyphenol;1-propoxypropane
CID 66600810
1-butoxybutane;4-(hydroxymethyl)-2-methoxyphenol;phosphoric acid
CID 69028004
2-methoxy-4-(tetradecoxymethyl)phenol
CID 15468909
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129
4-(hydroxymethyl)-2-methoxyphenol;3-methyl-1-(3-methylbutoxy)butane
CID 66731296
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
4-[3-(2-hydroxyethoxy)propyl]-2-methoxyphenol
CID 11356573
4-[3-(3-hydroxydodecoxy)propyl]-2-methoxyphenol
CID 137432163
butanedioic acid;4-(hydroxymethyl)-2-methoxyphenol
CID 174397560

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane?
The IUPAC name of 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane (CID 71151145) is 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane.
What is the SMILES notation for 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane?
The canonical SMILES for 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane is CCCCCOCCCCC.COc1cc(CO)ccc1O.
What is the InChIKey of 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane?
The InChIKey is RPHONJNCVWDZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.C8H10O3/c1-3-5-7-9-11-10-8-6-4-2;1-11-8-4-6(5-9)2-3-7(8)10/h3-10H2,1-2H3;2-4,9-10H,5H2,1H3.
What are the key properties of 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane?
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane has a molecular weight of 312.45 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane is sourced from PubChem (CID 71151145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).