(4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol

C22H32O3 — CID 123679287

IUPAC(4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol
SMILESCc1cccc2c1C(C1CCCCC1)(C1CCCCC1)OC(CO)O2
InChIInChI=1S/C22H32O3/c1-16-9-8-14-19-21(16)22(25-20(15-23)24-19,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14,17-18,20,23H,2-7,10-13,15H2,1H3
InChIKeyPOUDCSWTDBZGOA-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.08
Rot. Bonds3

About (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol

(4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol (PubChem CID 123679287) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol.

Molecular Properties

Compound Name(4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol
PubChem CID123679287
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Name(4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol
SMILESCc1cccc2c1C(C1CCCCC1)(C1CCCCC1)OC(CO)O2
InChIInChI=1S/C22H32O3/c1-16-9-8-14-19-21(16)22(25-20(15-23)24-19,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14,17-18,20,23H,2-7,10-13,15H2,1H3
InChIKeyPOUDCSWTDBZGOA-UHFFFAOYSA-N
XLogP5.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

(4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl) hydrogen carbonate
CID 130331905
4,4-dicyclohexyl-8-methyl-1,3-benzodioxine-2-carboxylic acid
CID 72545441
(4-methyl-2,3-dihydro-1-benzofuran-2-yl)methanol
CID 23244647
1-[[(4R,5R)-2-cyclohexyl-4,5-dimethyl-1,3-dioxolan-2-yl]methyl]-3-(2,6-dimethylphenyl)urea
CID 54000558
[2-(hydroxymethyl)azepan-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 114029406
3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011618
1-cyclohexyl-3-(2,6-dimethylphenyl)propan-2-one
CID 115792622
4,4-dicyclohexyl-7-methoxy-5-methyl-1,3-benzodioxine
CID 141379287
1-[2-(hydroxymethyl)azepan-1-yl]-2-(2-methylphenoxy)ethanone
CID 116636020
1-methyl-5a,6,7,8,9,10,10a,11-octahydrocyclohepta[b][1,4]benzoxazine
CID 115825603
(4-cyclohexylsulfonyl-6-methyl-2,3-dihydro-1,4-benzoxazin-2-yl)methanol
CID 122645074
N-(2,6-dimethylphenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684578

Frequently Asked Questions

What is the IUPAC name of (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol?
The IUPAC name of (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol (CID 123679287) is (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol.
What is the SMILES notation for (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol?
The canonical SMILES for (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol is Cc1cccc2c1C(C1CCCCC1)(C1CCCCC1)OC(CO)O2.
What is the InChIKey of (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol?
The InChIKey is POUDCSWTDBZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3/c1-16-9-8-14-19-21(16)22(25-20(15-23)24-19,17-10-4-2-5-11-17)18-12-6-3-7-13-18/h8-9,14,17-18,20,23H,2-7,10-13,15H2,1H3.
What are the key properties of (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol?
(4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol has a molecular weight of 344.50 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dicyclohexyl-5-methyl-1,3-benzodioxin-2-yl)methanol is sourced from PubChem (CID 123679287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).