4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol

C35H34O3 — CID 139680448

IUPAC4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol
SMILESCCCCCCOc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C35H34O3/c1-2-3-4-7-25-38-32-23-17-29(18-24-32)35(27-13-19-30(36)20-14-27,28-15-21-31(37)22-16-28)34-12-8-10-26-9-5-6-11-33(26)34/h5-6,8-24,36-37H,2-4,7,25H2,1H3
InChIKeyXZCNONGRQALHQY-UHFFFAOYSA-N
MW502.65 g/mol
LogP8.59
Rot. Bonds10

About 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol

4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol (PubChem CID 139680448) has the molecular formula C35H34O3 and a molecular weight of 502.65 g/mol. Its IUPAC name is 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol.

Molecular Properties

Compound Name4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol
PubChem CID139680448
Molecular FormulaC35H34O3
Molecular Weight502.65 g/mol
Exact Mass502.25
IUPAC Name4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol
SMILESCCCCCCOc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C35H34O3/c1-2-3-4-7-25-38-32-23-17-29(18-24-32)35(27-13-19-30(36)20-14-27,28-15-21-31(37)22-16-28)34-12-8-10-26-9-5-6-11-33(26)34/h5-6,8-24,36-37H,2-4,7,25H2,1H3
InChIKeyXZCNONGRQALHQY-UHFFFAOYSA-N
XLogP8.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.65
LogP ≤ 58.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 139680457
4-octadecoxyphenol
CID 22179059
1-heptoxy-4-[(4-heptoxyphenyl)-diphenylmethyl]benzene
CID 118498507
4-tert-butylphenol;pentoxybenzene
CID 161478542
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
4-[[4-[10-[4-[bis(4-tert-butylphenyl)-(4-hydroxyphenyl)methyl]phenoxy]decoxy]phenyl]-bis(4-tert-butylphenyl)methyl]phenol
CID 15189872
3-tert-butylphenol;4-tetradecoxyphenol
CID 70365154
4-(4-tetradecoxyanilino)phenol
CID 174780996
1,4-dibutoxybenzene;phenol
CID 174756360
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
3-methylphenol;4-tetradecoxyphenol
CID 70365130
3-chlorophenol;4-tetradecoxyphenol
CID 70365139

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol?
The IUPAC name of 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol (CID 139680448) is 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol.
What is the SMILES notation for 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol?
The canonical SMILES for 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol is CCCCCCOc1ccc(C(c2ccc(O)cc2)(c2ccc(O)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol?
The InChIKey is XZCNONGRQALHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O3/c1-2-3-4-7-25-38-32-23-17-29(18-24-32)35(27-13-19-30(36)20-14-27,28-15-21-31(37)22-16-28)34-12-8-10-26-9-5-6-11-33(26)34/h5-6,8-24,36-37H,2-4,7,25H2,1H3.
What are the key properties of 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol?
4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol has a molecular weight of 502.65 g/mol, XLogP of 8.59, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hexoxyphenyl)-(4-hydroxyphenyl)-naphthalen-1-ylmethyl]phenol is sourced from PubChem (CID 139680448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).