4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol

C30H34O5 — CID 170406702

IUPAC4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C30H34O5/c1-30(22-8-14-25(31)15-9-22,23-10-16-26(17-11-23)34-28-6-2-4-20-32-28)24-12-18-27(19-13-24)35-29-7-3-5-21-33-29/h8-19,28-29,31H,2-7,20-21H2,1H3
InChIKeyWWNZPLQOFPCZAP-UHFFFAOYSA-N
MW474.60 g/mol
LogP6.56
Rot. Bonds7

About 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol

4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol (PubChem CID 170406702) has the molecular formula C30H34O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
PubChem CID170406702
Molecular FormulaC30H34O5
Molecular Weight474.60 g/mol
Exact Mass474.24
IUPAC Name4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C30H34O5/c1-30(22-8-14-25(31)15-9-22,23-10-16-26(17-11-23)34-28-6-2-4-20-32-28)24-12-18-27(19-13-24)35-29-7-3-5-21-33-29/h8-19,28-29,31H,2-7,20-21H2,1H3
InChIKeyWWNZPLQOFPCZAP-UHFFFAOYSA-N
XLogP6.56
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

4-(oxan-2-yloxy)phenol
CID 11745519
2-[4-[1-(4-bromophenyl)-1-[4-(oxan-2-yloxy)phenyl]ethyl]phenoxy]oxane
CID 59724389
2-[4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 59724363
4-butan-2-ylphenol;2-(4-butan-2-ylphenoxy)oxane
CID 90796647
4-(oxan-2-yloxy)benzoic acid
CID 11183645
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
2-[4-[(E)-4-[4-(oxan-2-yloxy)phenyl]hex-3-en-3-yl]phenoxy]oxane
CID 11339567
CID 168763543
CID 168763543
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
2-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791
2,3-dimethylbutane-2,3-diol;[4-(oxan-2-yloxy)phenoxy]boronic acid
CID 175556774
2-[4-[2-[4-(oxetan-2-yloxy)phenyl]propan-2-yl]phenoxy]oxetane
CID 70479359

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol?
The IUPAC name of 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol (CID 170406702) is 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol.
What is the SMILES notation for 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol?
The canonical SMILES for 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol is CC(c1ccc(O)cc1)(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1.
What is the InChIKey of 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol?
The InChIKey is WWNZPLQOFPCZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O5/c1-30(22-8-14-25(31)15-9-22,23-10-16-26(17-11-23)34-28-6-2-4-20-32-28)24-12-18-27(19-13-24)35-29-7-3-5-21-33-29/h8-19,28-29,31H,2-7,20-21H2,1H3.
What are the key properties of 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol?
4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol has a molecular weight of 474.60 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-bis[4-(oxan-2-yloxy)phenyl]ethyl]phenol is sourced from PubChem (CID 170406702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).