(1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol

C20H24O4 — CID 162680211

IUPAC(1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol
SMILESCCCc1cc2c(c(O)c1C(O)O)-c1cc(C)ccc1C(C)(C)O2
InChIInChI=1S/C20H24O4/c1-5-6-12-10-15-17(18(21)16(12)19(22)23)13-9-11(2)7-8-14(13)20(3,4)24-15/h7-10,19,21-23H,5-6H2,1-4H3
InChIKeyTWFDPSQSGZPXNI-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.93
Rot. Bonds3

About (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol

(1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol (PubChem CID 162680211) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol.

Molecular Properties

Compound Name(1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol
PubChem CID162680211
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name(1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol
SMILESCCCc1cc2c(c(O)c1C(O)O)-c1cc(C)ccc1C(C)(C)O2
InChIInChI=1S/C20H24O4/c1-5-6-12-10-15-17(18(21)16(12)19(22)23)13-9-11(2)7-8-14(13)20(3,4)24-15/h7-10,19,21-23H,5-6H2,1-4H3
InChIKeyTWFDPSQSGZPXNI-UHFFFAOYSA-N
XLogP3.93
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol?
The IUPAC name of (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol (CID 162680211) is (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol.
What is the SMILES notation for (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol?
The canonical SMILES for (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol is CCCc1cc2c(c(O)c1C(O)O)-c1cc(C)ccc1C(C)(C)O2.
What is the InChIKey of (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol?
The InChIKey is TWFDPSQSGZPXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-5-6-12-10-15-17(18(21)16(12)19(22)23)13-9-11(2)7-8-14(13)20(3,4)24-15/h7-10,19,21-23H,5-6H2,1-4H3.
What are the key properties of (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol?
(1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol has a molecular weight of 328.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-6,6,9-trimethyl-3-propylbenzo[c]chromen-2-yl)methanediol is sourced from PubChem (CID 162680211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).