2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene

C25H25ClO — CID 163551176

IUPAC2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene
SMILESCOc1ccc(Cl)cc1-c1ccc2c(c1)C(C)(C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C25H25ClO/c1-24(2)21-9-7-6-8-18(21)19-12-10-16(14-22(19)25(24,3)4)20-15-17(26)11-13-23(20)27-5/h6-15H,1-5H3
InChIKeyZYOQTWRBDPRENI-UHFFFAOYSA-N
MW376.93 g/mol
LogP7.25
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene

2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene (PubChem CID 163551176) has the molecular formula C25H25ClO and a molecular weight of 376.93 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene
PubChem CID163551176
Molecular FormulaC25H25ClO
Molecular Weight376.93 g/mol
Exact Mass376.16
IUPAC Name2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene
SMILESCOc1ccc(Cl)cc1-c1ccc2c(c1)C(C)(C)C(C)(C)c1ccccc1-2
InChIInChI=1S/C25H25ClO/c1-24(2)21-9-7-6-8-18(21)19-12-10-16(14-22(19)25(24,3)4)20-15-17(26)11-13-23(20)27-5/h6-15H,1-5H3
InChIKeyZYOQTWRBDPRENI-UHFFFAOYSA-N
XLogP7.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.93
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene (CID 163551176) is 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene is COc1ccc(Cl)cc1-c1ccc2c(c1)C(C)(C)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene?
The InChIKey is ZYOQTWRBDPRENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClO/c1-24(2)21-9-7-6-8-18(21)19-12-10-16(14-22(19)25(24,3)4)20-15-17(26)11-13-23(20)27-5/h6-15H,1-5H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene?
2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene has a molecular weight of 376.93 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-9,9,10,10-tetramethylphenanthrene is sourced from PubChem (CID 163551176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).