ethane;1-ethoxy-3-methylbenzene;methanol

C12H22O2 — CID 142994688

IUPACethane;1-ethoxy-3-methylbenzene;methanol
SMILESCC.CCOc1cccc(C)c1.CO
InChIInChI=1S/C9H12O.C2H6.CH4O/c1-3-10-9-6-4-5-8(2)7-9;2*1-2/h4-7H,3H2,1-2H3;1-2H3;2H,1H3
InChIKeyIDMOCSIZNDLRMO-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.03
Rot. Bonds2

About ethane;1-ethoxy-3-methylbenzene;methanol

ethane;1-ethoxy-3-methylbenzene;methanol (PubChem CID 142994688) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is ethane;1-ethoxy-3-methylbenzene;methanol.

Molecular Properties

Compound Nameethane;1-ethoxy-3-methylbenzene;methanol
PubChem CID142994688
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Nameethane;1-ethoxy-3-methylbenzene;methanol
SMILESCC.CCOc1cccc(C)c1.CO
InChIInChI=1S/C9H12O.C2H6.CH4O/c1-3-10-9-6-4-5-8(2)7-9;2*1-2/h4-7H,3H2,1-2H3;1-2H3;2H,1H3
InChIKeyIDMOCSIZNDLRMO-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(3-methylphenoxy)butan-2-one
CID 19100291
1-bromo-3-ethoxybenzene;ethane
CID 143900364
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
N-[4-[(3-ethoxybenzoyl)amino]phenyl]-3-methylbenzamide
CID 1361715

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethoxy-3-methylbenzene;methanol?
The IUPAC name of ethane;1-ethoxy-3-methylbenzene;methanol (CID 142994688) is ethane;1-ethoxy-3-methylbenzene;methanol.
What is the SMILES notation for ethane;1-ethoxy-3-methylbenzene;methanol?
The canonical SMILES for ethane;1-ethoxy-3-methylbenzene;methanol is CC.CCOc1cccc(C)c1.CO.
What is the InChIKey of ethane;1-ethoxy-3-methylbenzene;methanol?
The InChIKey is IDMOCSIZNDLRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C2H6.CH4O/c1-3-10-9-6-4-5-8(2)7-9;2*1-2/h4-7H,3H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;1-ethoxy-3-methylbenzene;methanol?
ethane;1-ethoxy-3-methylbenzene;methanol has a molecular weight of 198.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethoxy-3-methylbenzene;methanol is sourced from PubChem (CID 142994688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).