[4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol

C13H18O2 — CID 177450686

IUPAC[4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol
SMILESC/C=C\c1cc(CO)ccc1OC(C)C
InChIInChI=1S/C13H18O2/c1-4-5-12-8-11(9-14)6-7-13(12)15-10(2)3/h4-8,10,14H,9H2,1-3H3/b5-4-
InChIKeyDFKTYOYZLVMHKR-PLNGDYQASA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds4

About [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol

[4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol (PubChem CID 177450686) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol
PubChem CID177450686
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name[4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol
SMILESC/C=C\c1cc(CO)ccc1OC(C)C
InChIInChI=1S/C13H18O2/c1-4-5-12-8-11(9-14)6-7-13(12)15-10(2)3/h4-8,10,14H,9H2,1-3H3/b5-4-
InChIKeyDFKTYOYZLVMHKR-PLNGDYQASA-N
XLogP3.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
(3-nitro-4-propan-2-yloxyphenyl)methanol
CID 28963964
2-ethyl-1-propan-2-yloxy-3-prop-1-enylbenzene
CID 90838901
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
(4-prop-1-enylphenyl)methanol
CID 67711719
[4-(1-adamantyl)-3-propan-2-yloxyphenyl]methanol
CID 66726726
(E)-3-(5-chloro-2-propan-2-yloxyphenyl)prop-2-enoyl chloride
CID 102538031
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
CID 62019697
(E)-3-[2,5-di(propan-2-yloxy)phenyl]-1-[2,3,6-tri(propan-2-yloxy)phenyl]prop-2-en-1-one
CID 70017849
(3-ethenyl-4-propan-2-yloxyphenyl)methyl-dimethyl-[2-(trimethylazaniumyl)ethyl]azanium
CID 102326558
[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
CID 90161973

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol?
The IUPAC name of [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol (CID 177450686) is [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol.
What is the SMILES notation for [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol?
The canonical SMILES for [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol is C/C=C\c1cc(CO)ccc1OC(C)C.
What is the InChIKey of [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol?
The InChIKey is DFKTYOYZLVMHKR-PLNGDYQASA-N. The full InChI is InChI=1S/C13H18O2/c1-4-5-12-8-11(9-14)6-7-13(12)15-10(2)3/h4-8,10,14H,9H2,1-3H3/b5-4-.
What are the key properties of [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol?
[4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol has a molecular weight of 206.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yloxy-3-[(Z)-prop-1-enyl]phenyl]methanol is sourced from PubChem (CID 177450686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).