[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol

C23H32O4 — CID 102040147

IUPAC[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
SMILESOCc1ccc(OCCCCCCCCCOc2ccc(CO)cc2)cc1
InChIInChI=1S/C23H32O4/c24-18-20-8-12-22(13-9-20)26-16-6-4-2-1-3-5-7-17-27-23-14-10-21(19-25)11-15-23/h8-15,24-25H,1-7,16-19H2
InChIKeyPVSIDFCKWIPFNR-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.86
Rot. Bonds14

About [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol

[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol (PubChem CID 102040147) has the molecular formula C23H32O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
PubChem CID102040147
Molecular FormulaC23H32O4
Molecular Weight372.51 g/mol
Exact Mass372.23
IUPAC Name[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol
SMILESOCc1ccc(OCCCCCCCCCOc2ccc(CO)cc2)cc1
InChIInChI=1S/C23H32O4/c24-18-20-8-12-22(13-9-20)26-16-6-4-2-1-3-5-7-17-27-23-14-10-21(19-25)11-15-23/h8-15,24-25H,1-7,16-19H2
InChIKeyPVSIDFCKWIPFNR-UHFFFAOYSA-N
XLogP4.86
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.86
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-[13-[4-(hydroxymethyl)phenoxy]tridecoxy]phenyl]methanol
CID 118229822
[4-(3-aminopropoxy)phenyl]methanol;hydrochloride
CID 118916202
[4-[[4-(9-chlorononoxy)phenyl]methylperoxy]phenyl]methanol
CID 177328323
8-[4-(aminomethyl)phenoxy]octan-1-ol
CID 71278332
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
[4-(fluoromethoxy)phenyl]methanol
CID 54255227
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
[4-[(Z)-4-[4-(hydroxymethyl)phenoxy]but-2-enoxy]phenyl]methanol
CID 19261739
5-[10-[4-(hydroxymethyl)phenoxy]decyl]-3H-1,3,4-oxadiazole-2-thione
CID 139225495
butyl 2-[4-(hydroxymethyl)phenoxy]acetate
CID 54941444
6-[[4-(2-hydroxyethoxy)phenyl]methoxy]hexan-1-ol
CID 126733127

Frequently Asked Questions

What is the IUPAC name of [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol?
The IUPAC name of [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol (CID 102040147) is [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol.
What is the SMILES notation for [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol?
The canonical SMILES for [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol is OCc1ccc(OCCCCCCCCCOc2ccc(CO)cc2)cc1.
What is the InChIKey of [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol?
The InChIKey is PVSIDFCKWIPFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O4/c24-18-20-8-12-22(13-9-20)26-16-6-4-2-1-3-5-7-17-27-23-14-10-21(19-25)11-15-23/h8-15,24-25H,1-7,16-19H2.
What are the key properties of [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol?
[4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol has a molecular weight of 372.51 g/mol, XLogP of 4.86, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[9-[4-(hydroxymethyl)phenoxy]nonoxy]phenyl]methanol is sourced from PubChem (CID 102040147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).