3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol

C10H16O2 — CID 11045033

IUPAC3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCOC1=CC=C(CCCO)CC1
InChIInChI=1S/C10H16O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4,6,11H,2-3,5,7-8H2,1H3
InChIKeyTVZORZUMEIQISH-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.01
Rot. Bonds4

About 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol

3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol (PubChem CID 11045033) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol
PubChem CID11045033
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCOC1=CC=C(CCCO)CC1
InChIInChI=1S/C10H16O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4,6,11H,2-3,5,7-8H2,1H3
InChIKeyTVZORZUMEIQISH-UHFFFAOYSA-N
XLogP2.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxy-4-(2-methoxyethyl)cyclohexa-1,3-diene
CID 12642148
(1R)-3-(2-methoxyethenyl)cyclohex-2-en-1-ol
CID 91034166
4-[5-(3-Hydroxybutyl)cyclohexa-1,4-dien-1-yl]butan-2-ol
CID 101386227
3-[4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-ol
CID 162556749
Carbon monoxide;iron;3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol
CID 11045032
3-(1-Ethoxyethenyl)cyclohex-2-en-1-ol
CID 12769018
1-Methoxy-4-(4-hydroxybutyl)cyclohexa-1,4-diene
CID 10352327
2-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanol
CID 12642144
6-(2H-pyran-4-yl)hexan-1-ol
CID 19797287
1-Methyl-4-octoxycyclohexa-1,3-diene
CID 23223459
2-(4-Methylcyclohexa-1,3-dien-1-yl)ethanol
CID 68384636
(E)-1-cyclohexa-1,3-dien-1-ylhex-3-en-3-ol
CID 68642835

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol?
The IUPAC name of 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol (CID 11045033) is 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol is COC1=CC=C(CCCO)CC1.
What is the InChIKey of 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol?
The InChIKey is TVZORZUMEIQISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4,6,11H,2-3,5,7-8H2,1H3.
What are the key properties of 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol?
3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxycyclohexa-1,3-dien-1-yl)propan-1-ol is sourced from PubChem (CID 11045033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).