2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene

C30H23ClO — CID 174431385

IUPAC2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene
SMILESClc1ccc(Oc2ccc(C3=Cc4ccc5c(c4CC3)CCc3ccccc3-5)cc2)cc1
InChIInChI=1S/C30H23ClO/c31-24-10-14-26(15-11-24)32-25-12-5-20(6-13-25)22-8-16-28-23(19-22)9-18-29-27-4-2-1-3-21(27)7-17-30(28)29/h1-6,9-15,18-19H,7-8,16-17H2
InChIKeyZDORPUAEXCCXOF-UHFFFAOYSA-N
MW434.97 g/mol
LogP8.38
Rot. Bonds3

About 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene

2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene (PubChem CID 174431385) has the molecular formula C30H23ClO and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene
PubChem CID174431385
Molecular FormulaC30H23ClO
Molecular Weight434.97 g/mol
Exact Mass434.14
IUPAC Name2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene
SMILESClc1ccc(Oc2ccc(C3=Cc4ccc5c(c4CC3)CCc3ccccc3-5)cc2)cc1
InChIInChI=1S/C30H23ClO/c31-24-10-14-26(15-11-24)32-25-12-5-20(6-13-25)22-8-16-28-23(19-22)9-18-29-27-4-2-1-3-21(27)7-17-30(28)29/h1-6,9-15,18-19H,7-8,16-17H2
InChIKeyZDORPUAEXCCXOF-UHFFFAOYSA-N
XLogP8.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene;2-(1,1-dioxo-2H-thiopyran-2-yl)-N-hydroxyacetamide
CID 174431383
2-[4-(4-fluorophenyl)phenyl]-3,4,5,6-tetrahydrochrysene;2-(2H-thiopyran-2-yl)acetic acid
CID 174451351
tert-butyl 3,4,5,6-tetrahydrochrysene-2-carboxylate
CID 175318145
4-[4-(9H-fluoren-1-yl)phenoxy]aniline
CID 141303700
4-(4-chlorophenyl)-2-phenyl-5,6-dihydrobenzo[h]quinoline
CID 3736312
4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
CID 10639883
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
N-methyl-N-(oxan-2-yloxy)-3-[4-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]prop-2-enamide
CID 175238482
N-hydroxy-N-[3-[5-(3,4,5,6-tetrahydrochrysen-2-yl)thiophen-2-yl]phenyl]propanamide
CID 174431463
3,4,5,6-tetrahydrochrysen-3-ylmethanamine
CID 174311075
6-bromo-3-(4-chlorophenyl)-1,2-dihydronaphthalene
CID 167038414
1-(4-chlorophenyl)-4-methyl-1-(4-methylphenyl)-3,4,5,6-tetrahydro-2H-chrysene
CID 174591500

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene?
The IUPAC name of 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene (CID 174431385) is 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene?
The canonical SMILES for 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene is Clc1ccc(Oc2ccc(C3=Cc4ccc5c(c4CC3)CCc3ccccc3-5)cc2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene?
The InChIKey is ZDORPUAEXCCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClO/c31-24-10-14-26(15-11-24)32-25-12-5-20(6-13-25)22-8-16-28-23(19-22)9-18-29-27-4-2-1-3-21(27)7-17-30(28)29/h1-6,9-15,18-19H,7-8,16-17H2.
What are the key properties of 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene?
2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene has a molecular weight of 434.97 g/mol, XLogP of 8.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)phenyl]-3,4,5,6-tetrahydrochrysene is sourced from PubChem (CID 174431385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).