CID 134831286

C29H21O2 — CID 134831286

IUPAC—
SMILESO=C1c2ccccc2[C]2c3ccccc3C(O)(c3ccccc3)[C@@]21Cc1ccccc1
InChIInChI=1S/C29H21O2/c30-27-23-16-8-7-15-22(23)26-24-17-9-10-18-25(24)29(31,21-13-5-2-6-14-21)28(26,27)19-20-11-3-1-4-12-20/h1-18,31H,19H2/t28-,29?/m0/s1
InChIKeyQPZLPOKPKNRZCN-XLTVJXRZSA-N
MW401.49 g/mol
LogP5.33
Rot. Bonds3

About CID 134831286

CID 134831286 (PubChem CID 134831286) has the molecular formula C29H21O2 and a molecular weight of 401.49 g/mol.

Molecular Properties

Compound NameCID 134831286
PubChem CID134831286
Molecular FormulaC29H21O2
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC Name—
SMILESO=C1c2ccccc2[C]2c3ccccc3C(O)(c3ccccc3)[C@@]21Cc1ccccc1
InChIInChI=1S/C29H21O2/c30-27-23-16-8-7-15-22(23)26-24-17-9-10-18-25(24)29(31,21-13-5-2-6-14-21)28(26,27)19-20-11-3-1-4-12-20/h1-18,31H,19H2/t28-,29?/m0/s1
InChIKeyQPZLPOKPKNRZCN-XLTVJXRZSA-N
XLogP5.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 134831286?
The IUPAC name of CID 134831286 (CID 134831286) is not available.
What is the SMILES notation for CID 134831286?
The canonical SMILES for CID 134831286 is O=C1c2ccccc2[C]2c3ccccc3C(O)(c3ccccc3)[C@@]21Cc1ccccc1.
What is the InChIKey of CID 134831286?
The InChIKey is QPZLPOKPKNRZCN-XLTVJXRZSA-N. The full InChI is InChI=1S/C29H21O2/c30-27-23-16-8-7-15-22(23)26-24-17-9-10-18-25(24)29(31,21-13-5-2-6-14-21)28(26,27)19-20-11-3-1-4-12-20/h1-18,31H,19H2/t28-,29?/m0/s1.
What are the key properties of CID 134831286?
CID 134831286 has a molecular weight of 401.49 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134831286 is sourced from PubChem (CID 134831286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).