CID 10745201

C30H35O2 — CID 10745201

IUPAC—
SMILESCc1cc(C)c(C(=C(OC(=O)[C]2[CH][CH][CH][CH]2)C(C)(C)C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C30H35O2/c1-18-14-20(3)25(21(4)15-18)27(26-22(5)16-19(2)17-23(26)6)28(30(7,8)9)32-29(31)24-12-10-11-13-24/h10-17H,1-9H3
InChIKeyLFKLWJDLLMQFED-UHFFFAOYSA-N
MW427.61 g/mol
LogP7.29
Rot. Bonds4

About CID 10745201

CID 10745201 (PubChem CID 10745201) has the molecular formula C30H35O2 and a molecular weight of 427.61 g/mol.

Molecular Properties

Compound NameCID 10745201
PubChem CID10745201
Molecular FormulaC30H35O2
Molecular Weight427.61 g/mol
Exact Mass427.26
IUPAC Name—
SMILESCc1cc(C)c(C(=C(OC(=O)[C]2[CH][CH][CH][CH]2)C(C)(C)C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C30H35O2/c1-18-14-20(3)25(21(4)15-18)27(26-22(5)16-19(2)17-23(26)6)28(30(7,8)9)32-29(31)24-12-10-11-13-24/h10-17H,1-9H3
InChIKeyLFKLWJDLLMQFED-UHFFFAOYSA-N
XLogP7.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.61
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze CID 10745201 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 10745201?
The IUPAC name of CID 10745201 (CID 10745201) is not available.
What is the SMILES notation for CID 10745201?
The canonical SMILES for CID 10745201 is Cc1cc(C)c(C(=C(OC(=O)[C]2[CH][CH][CH][CH]2)C(C)(C)C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of CID 10745201?
The InChIKey is LFKLWJDLLMQFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35O2/c1-18-14-20(3)25(21(4)15-18)27(26-22(5)16-19(2)17-23(26)6)28(30(7,8)9)32-29(31)24-12-10-11-13-24/h10-17H,1-9H3.
What are the key properties of CID 10745201?
CID 10745201 has a molecular weight of 427.61 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10745201 is sourced from PubChem (CID 10745201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).