CID 11521033

C33H29O5 — CID 11521033

IUPAC—
SMILESCOc1ccc([C]2[C](O)[C](c3ccc(OC)cc3)[C](c3ccc(OC)cc3)[C]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H29O5/c1-35-25-13-5-21(6-14-25)29-30(22-7-15-26(36-2)16-8-22)32(24-11-19-28(38-4)20-12-24)33(34)31(29)23-9-17-27(37-3)18-10-23/h5-20,34H,1-4H3
InChIKeyNHWSJLUBUGRFRR-UHFFFAOYSA-N
MW505.59 g/mol
LogP6.43
Rot. Bonds8

About CID 11521033

CID 11521033 (PubChem CID 11521033) has the molecular formula C33H29O5 and a molecular weight of 505.59 g/mol.

Molecular Properties

Compound NameCID 11521033
PubChem CID11521033
Molecular FormulaC33H29O5
Molecular Weight505.59 g/mol
Exact Mass505.20
IUPAC Name—
SMILESCOc1ccc([C]2[C](O)[C](c3ccc(OC)cc3)[C](c3ccc(OC)cc3)[C]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C33H29O5/c1-35-25-13-5-21(6-14-25)29-30(22-7-15-26(36-2)16-8-22)32(24-11-19-28(38-4)20-12-24)33(34)31(29)23-9-17-27(37-3)18-10-23/h5-20,34H,1-4H3
InChIKeyNHWSJLUBUGRFRR-UHFFFAOYSA-N
XLogP6.43
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.59
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 11521033?
The IUPAC name of CID 11521033 (CID 11521033) is not available.
What is the SMILES notation for CID 11521033?
The canonical SMILES for CID 11521033 is COc1ccc([C]2[C](O)[C](c3ccc(OC)cc3)[C](c3ccc(OC)cc3)[C]2c2ccc(OC)cc2)cc1.
What is the InChIKey of CID 11521033?
The InChIKey is NHWSJLUBUGRFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29O5/c1-35-25-13-5-21(6-14-25)29-30(22-7-15-26(36-2)16-8-22)32(24-11-19-28(38-4)20-12-24)33(34)31(29)23-9-17-27(37-3)18-10-23/h5-20,34H,1-4H3.
What are the key properties of CID 11521033?
CID 11521033 has a molecular weight of 505.59 g/mol, XLogP of 6.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11521033 is sourced from PubChem (CID 11521033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).