[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene

C29H23ClO — CID 138738136

IUPAC[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene
SMILESClC(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccccccc2)cc1
InChIInChI=1S/C29H23ClO/c30-29(24-14-8-6-9-15-24,25-16-10-7-11-17-25)26-20-22-28(23-21-26)31-27-18-12-4-2-1-3-5-13-19-27/h1-23H/b2-1-,3-1-,4-2-,5-3+,12-4+,13-5+,18-12+,19-13-,27-18+,27-19+
InChIKeyUGQZQPYHCVNQJL-LCGRUWRRSA-N
MW422.96 g/mol
LogP8.13
Rot. Bonds5

About [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene

[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene (PubChem CID 138738136) has the molecular formula C29H23ClO and a molecular weight of 422.96 g/mol. Its IUPAC name is [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene.

Molecular Properties

Compound Name[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene
PubChem CID138738136
Molecular FormulaC29H23ClO
Molecular Weight422.96 g/mol
Exact Mass422.14
IUPAC Name[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene
SMILESClC(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccccccc2)cc1
InChIInChI=1S/C29H23ClO/c30-29(24-14-8-6-9-15-24,25-16-10-7-11-17-25)26-20-22-28(23-21-26)31-27-18-12-4-2-1-3-5-13-19-27/h1-23H/b2-1-,3-1-,4-2-,5-3+,12-4+,13-5+,18-12+,19-13-,27-18+,27-19+
InChIKeyUGQZQPYHCVNQJL-LCGRUWRRSA-N
XLogP8.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[chloro(diphenyl)methyl]-4-phenoxybenzene
CID 15182049
2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
CID 87850668
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene
CID 14093485
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
potassium;hydride;phenoxybenzene
CID 173391576
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene
CID 134940295

Frequently Asked Questions

What is the IUPAC name of [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene?
The IUPAC name of [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene (CID 138738136) is [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene.
What is the SMILES notation for [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene?
The canonical SMILES for [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene is ClC(c1ccccc1)(c1ccccc1)c1ccc(Oc2ccccccccc2)cc1.
What is the InChIKey of [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene?
The InChIKey is UGQZQPYHCVNQJL-LCGRUWRRSA-N. The full InChI is InChI=1S/C29H23ClO/c30-29(24-14-8-6-9-15-24,25-16-10-7-11-17-25)26-20-22-28(23-21-26)31-27-18-12-4-2-1-3-5-13-19-27/h1-23H/b2-1-,3-1-,4-2-,5-3+,12-4+,13-5+,18-12+,19-13-,27-18+,27-19+.
What are the key properties of [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene?
[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene has a molecular weight of 422.96 g/mol, XLogP of 8.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene is sourced from PubChem (CID 138738136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).