4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol

C22H32O2 — CID 74423123

IUPAC4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol
SMILESCc1ccc2c(c1O)C1(C)CCC3C(C)(CO)CCCC3(C)C1C2
InChIInChI=1S/C22H32O2/c1-14-6-7-15-12-17-21(3)10-5-9-20(2,13-23)16(21)8-11-22(17,4)18(15)19(14)24/h6-7,16-17,23-24H,5,8-13H2,1-4H3
InChIKeyQLLVZMNPEACNBC-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.73
Rot. Bonds1

About 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol

4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol (PubChem CID 74423123) has the molecular formula C22H32O2 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol
PubChem CID74423123
Molecular FormulaC22H32O2
Molecular Weight328.50 g/mol
Exact Mass328.24
IUPAC Name4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol
SMILESCc1ccc2c(c1O)C1(C)CCC3C(C)(CO)CCCC3(C)C1C2
InChIInChI=1S/C22H32O2/c1-14-6-7-15-12-17-21(3)10-5-9-20(2,13-23)16(21)8-11-22(17,4)18(15)19(14)24/h6-7,16-17,23-24H,5,8-13H2,1-4H3
InChIKeyQLLVZMNPEACNBC-UHFFFAOYSA-N
XLogP4.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol?
The IUPAC name of 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol (CID 74423123) is 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol.
What is the SMILES notation for 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol?
The canonical SMILES for 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol is Cc1ccc2c(c1O)C1(C)CCC3C(C)(CO)CCCC3(C)C1C2.
What is the InChIKey of 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol?
The InChIKey is QLLVZMNPEACNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O2/c1-14-6-7-15-12-17-21(3)10-5-9-20(2,13-23)16(21)8-11-22(17,4)18(15)19(14)24/h6-7,16-17,23-24H,5,8-13H2,1-4H3.
What are the key properties of 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol?
4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol has a molecular weight of 328.50 g/mol, XLogP of 4.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-4,6a,8,11b-tetramethyl-1,2,3,4a,5,6,11,11a-octahydrobenzo[a]fluoren-7-ol is sourced from PubChem (CID 74423123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).