[3,4-di(nonoxy)phenyl]methanol

C25H44O3 — CID 143615493

IUPAC[3,4-di(nonoxy)phenyl]methanol
SMILESCCCCCCCCCOc1ccc(CO)cc1OCCCCCCCCC
InChIInChI=1S/C25H44O3/c1-3-5-7-9-11-13-15-19-27-24-18-17-23(22-26)21-25(24)28-20-16-14-12-10-8-6-4-2/h17-18,21,26H,3-16,19-20,22H2,1-2H3
InChIKeyWDQPWZZRSCBNGT-UHFFFAOYSA-N
MW392.62 g/mol
LogP7.44
Rot. Bonds19

About [3,4-di(nonoxy)phenyl]methanol

[3,4-di(nonoxy)phenyl]methanol (PubChem CID 143615493) has the molecular formula C25H44O3 and a molecular weight of 392.62 g/mol. Its IUPAC name is [3,4-di(nonoxy)phenyl]methanol.

Molecular Properties

Compound Name[3,4-di(nonoxy)phenyl]methanol
PubChem CID143615493
Molecular FormulaC25H44O3
Molecular Weight392.62 g/mol
Exact Mass392.33
IUPAC Name[3,4-di(nonoxy)phenyl]methanol
SMILESCCCCCCCCCOc1ccc(CO)cc1OCCCCCCCCC
InChIInChI=1S/C25H44O3/c1-3-5-7-9-11-13-15-19-27-24-18-17-23(22-26)21-25(24)28-20-16-14-12-10-8-6-4-2/h17-18,21,26H,3-16,19-20,22H2,1-2H3
InChIKeyWDQPWZZRSCBNGT-UHFFFAOYSA-N
XLogP7.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.62
LogP ≤ 57.44
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

[4-hexoxy-3-[12-[2-hexoxy-5-(hydroxymethyl)phenoxy]dodecoxy]phenyl]methanol
CID 71341806
(3-hexoxy-4-methoxyphenyl)methanol
CID 29006684
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
4-(chloromethyl)-1,2-dioctoxybenzene
CID 86084009
3-(3,4-didecoxyphenyl)propan-1-amine
CID 170867431
4-(chloromethyl)-2-ethoxy-1-heptoxybenzene
CID 43129653
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
[4-(2-butoxyethoxy)-3-methoxyphenyl]methanol
CID 61035977
methyl 2-(3,4-dioctoxyphenyl)acetate
CID 22938281
4-(3,4-dihexoxyphenyl)-1,2-dihexoxybenzene
CID 14937397
(4-nitro-3-pentoxyphenyl)methanol
CID 62115918
4-(3,4-dihexadecoxyphenyl)butanoic acid
CID 70560889

Frequently Asked Questions

What is the IUPAC name of [3,4-di(nonoxy)phenyl]methanol?
The IUPAC name of [3,4-di(nonoxy)phenyl]methanol (CID 143615493) is [3,4-di(nonoxy)phenyl]methanol.
What is the SMILES notation for [3,4-di(nonoxy)phenyl]methanol?
The canonical SMILES for [3,4-di(nonoxy)phenyl]methanol is CCCCCCCCCOc1ccc(CO)cc1OCCCCCCCCC.
What is the InChIKey of [3,4-di(nonoxy)phenyl]methanol?
The InChIKey is WDQPWZZRSCBNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O3/c1-3-5-7-9-11-13-15-19-27-24-18-17-23(22-26)21-25(24)28-20-16-14-12-10-8-6-4-2/h17-18,21,26H,3-16,19-20,22H2,1-2H3.
What are the key properties of [3,4-di(nonoxy)phenyl]methanol?
[3,4-di(nonoxy)phenyl]methanol has a molecular weight of 392.62 g/mol, XLogP of 7.44, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-di(nonoxy)phenyl]methanol is sourced from PubChem (CID 143615493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).