4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol

C29H23FO2 — CID 142367652

IUPAC4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol
SMILESOc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)c(F)cc32)cc1
InChIInChI=1S/C29H23FO2/c30-27-18-26-23(17-28(27)32-19-20-7-3-1-4-8-20)13-16-25(21-9-5-2-6-10-21)29(26)22-11-14-24(31)15-12-22/h1-12,14-15,17-18,31H,13,16,19H2
InChIKeyQMJUEAMLVHUHDA-UHFFFAOYSA-N
MW422.50 g/mol
LogP7.02
Rot. Bonds5

About 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol

4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol (PubChem CID 142367652) has the molecular formula C29H23FO2 and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol.

Molecular Properties

Compound Name4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol
PubChem CID142367652
Molecular FormulaC29H23FO2
Molecular Weight422.50 g/mol
Exact Mass422.17
IUPAC Name4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol
SMILESOc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)c(F)cc32)cc1
InChIInChI=1S/C29H23FO2/c30-27-18-26-23(17-28(27)32-19-20-7-3-1-4-8-20)13-16-25(21-9-5-2-6-10-21)29(26)22-11-14-24(31)15-12-22/h1-12,14-15,17-18,31H,13,16,19H2
InChIKeyQMJUEAMLVHUHDA-UHFFFAOYSA-N
XLogP7.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenyl]-3-phenyl-7-phenylmethoxy-1,2-dihydronaphthalene
CID 154638177
4-[2,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-4-(4-hydroxyphenyl)phenyl]phenol
CID 102320796
3-fluoro-4-(4-phenylmethoxyphenyl)phenol
CID 53219756
2-(3-fluoro-4-phenylmethoxyphenyl)-5-(4-hydroxyphenyl)-6-methoxy-3-methylphenol
CID 23538563
4-(dimethoxymethyl)-1-[4-(2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 134562587
5-[2-(5-chloro-2-phenylmethoxyphenyl)cyclopenten-1-yl]-2-fluorobenzoic acid
CID 21112963
6-phenylmethoxy-2,3-dihydro-1H-inden-5-ol
CID 13059019
2-fluoro-4-[4-(3-fluorophenyl)phenyl]-1-phenylmethoxybenzene
CID 54485852
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
5-phenyl-2-phenylmethoxyphenol
CID 11994792
4-[4-(4-bromophenyl)phenyl]-2-fluoro-1-phenylmethoxybenzene
CID 54061452
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684

Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol?
The IUPAC name of 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol (CID 142367652) is 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol.
What is the SMILES notation for 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol?
The canonical SMILES for 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol is Oc1ccc(C2=C(c3ccccc3)CCc3cc(OCc4ccccc4)c(F)cc32)cc1.
What is the InChIKey of 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol?
The InChIKey is QMJUEAMLVHUHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FO2/c30-27-18-26-23(17-28(27)32-19-20-7-3-1-4-8-20)13-16-25(21-9-5-2-6-10-21)29(26)22-11-14-24(31)15-12-22/h1-12,14-15,17-18,31H,13,16,19H2.
What are the key properties of 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol?
4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol has a molecular weight of 422.50 g/mol, XLogP of 7.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenol is sourced from PubChem (CID 142367652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).