(2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol

C9H14O2 — CID 14446832

IUPAC(2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1=CC=C(C)CC1CO
InChIInChI=1S/C9H14O2/c1-7-3-4-9(11-2)8(5-7)6-10/h3-4,8,10H,5-6H2,1-2H3
InChIKeyHBWJHXMUTLGONQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.48
Rot. Bonds2

About (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol

(2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol (PubChem CID 14446832) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol
PubChem CID14446832
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1=CC=C(C)CC1CO
InChIInChI=1S/C9H14O2/c1-7-3-4-9(11-2)8(5-7)6-10/h3-4,8,10H,5-6H2,1-2H3
InChIKeyHBWJHXMUTLGONQ-UHFFFAOYSA-N
XLogP1.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxy-4-(2-hydroxyethyl)-cyclohexa-1,4-diene
CID 12400614
(3Z,5E)-3-(2-fluoroethyl)-6-methoxy-5,7-dimethylnona-3,5-dien-1-ol
CID 166671027
(1R,2R)-4-methoxy-2-[(E)-prop-1-enyl]cyclopent-3-en-1-ol
CID 14633651
2-[[4-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]oxymethyl]butan-1-ol
CID 162550543
2-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanol
CID 12642144
(2S,3R,4S)-3-methoxy-2,4,6-trimethylhept-5-en-1-ol
CID 59678397
(5Z)-3-methoxy-2,4-dimethylocta-5,7-dien-1-ol
CID 60128513
2,6-Bis(hydroxymethyl)-4-methylcyclohexa-1,3-dien-1-ol
CID 67477541
2,6-Bis(hydroxymethyl)-4-methylcyclohexa-1,5-dien-1-ol
CID 68013204
3-(2-Hydroxyethyl)-6-methylcyclohexa-1,3-dien-1-ol
CID 68251970
(3S,4S,5E,7E,9E)-4,6-dimethylundeca-5,7,9-triene-1,3-diol
CID 88858169
(3S,4S,5E,7Z)-4,6-dimethylnona-5,7-diene-1,3-diol
CID 89173050

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol (CID 14446832) is (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol is COC1=CC=C(C)CC1CO.
What is the InChIKey of (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is HBWJHXMUTLGONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-3-4-9(11-2)8(5-7)6-10/h3-4,8,10H,5-6H2,1-2H3.
What are the key properties of (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol?
(2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylcyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 14446832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).