(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol

C18H26O3 — CID 107181761

IUPAC(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
SMILESCC1COc2ccc(C(O)C3CCCC3(C)C)cc2OC1
InChIInChI=1S/C18H26O3/c1-12-10-20-15-7-6-13(9-16(15)21-11-12)17(19)14-5-4-8-18(14,2)3/h6-7,9,12,14,17,19H,4-5,8,10-11H2,1-3H3
InChIKeyFCRJPMXWZGCAMO-UHFFFAOYSA-N
MW290.40 g/mol
LogP3.95
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol

(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol (PubChem CID 107181761) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
PubChem CID107181761
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
SMILESCC1COc2ccc(C(O)C3CCCC3(C)C)cc2OC1
InChIInChI=1S/C18H26O3/c1-12-10-20-15-7-6-13(9-16(15)21-11-12)17(19)14-5-4-8-18(14,2)3/h6-7,9,12,14,17,19H,4-5,8,10-11H2,1-3H3
InChIKeyFCRJPMXWZGCAMO-UHFFFAOYSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 107002531
3,4-dihydro-2H-chromen-6-yl-(2,2-dimethylcyclopentyl)methanol
CID 107181693
6-[bromo-(2,2-dimethylcyclopentyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 107182199
(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 107001257
7-[chloro-(1-methylcyclohexyl)methyl]-3-methyl-3,4-dihydro-2H-1,5-benzodioxepine
CID 106828574
[2,3-dihydro-1,4-benzodioxin-6-yl-(2,2-dimethylcyclopentyl)methyl]hydrazine
CID 107193749
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107177185
2,2-difluoro-1-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 113435258
(2,2-dimethylcyclopentyl)-(3-fluorophenyl)methanol
CID 107191966
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
(3,5-difluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107192212
N-[(2,2-dimethylcyclopropyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 107001259

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol (CID 107181761) is (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol is CC1COc2ccc(C(O)C3CCCC3(C)C)cc2OC1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol?
The InChIKey is FCRJPMXWZGCAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O3/c1-12-10-20-15-7-6-13(9-16(15)21-11-12)17(19)14-5-4-8-18(14,2)3/h6-7,9,12,14,17,19H,4-5,8,10-11H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol?
(2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol has a molecular weight of 290.40 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol is sourced from PubChem (CID 107181761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).