(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol

C12H17IO3 — CID 45371618

IUPAC(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol
SMILESCCC(C)Oc1c(I)cc(CO)cc1OC
InChIInChI=1S/C12H17IO3/c1-4-8(2)16-12-10(13)5-9(7-14)6-11(12)15-3/h5-6,8,14H,4,7H2,1-3H3
InChIKeyNRNVEOXJRLVPHP-UHFFFAOYSA-N
MW336.17 g/mol
LogP2.97
Rot. Bonds5

About (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol

(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol (PubChem CID 45371618) has the molecular formula C12H17IO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol
PubChem CID45371618
Molecular FormulaC12H17IO3
Molecular Weight336.17 g/mol
Exact Mass336.02
IUPAC Name(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol
SMILESCCC(C)Oc1c(I)cc(CO)cc1OC
InChIInChI=1S/C12H17IO3/c1-4-8(2)16-12-10(13)5-9(7-14)6-11(12)15-3/h5-6,8,14H,4,7H2,1-3H3
InChIKeyNRNVEOXJRLVPHP-UHFFFAOYSA-N
XLogP2.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3-iodo-5-methoxy-4-propan-2-yloxyphenyl)methanol
CID 45371684
(3-butan-2-yloxy-4-methoxyphenyl)methanol
CID 43209251
(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
CID 114013408
2-(4-butan-2-yloxy-3,5-dimethoxyphenyl)ethanamine
CID 54930550
5-[(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methylidene]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2915160
(5E)-5-[[4-[(2R)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylidene]imidazolidine-2,4-dione
CID 126057174
(5E)-5-[[4-[(2S)-butan-2-yl]oxy-3-iodo-5-methoxyphenyl]methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 126244106
[4-[(3,4-dichlorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methanol
CID 1319055
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
CID 43276505
(2S)-2-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylamino]butan-1-ol
CID 979758
[4-(1-ethoxyethoxy)-3-iodo-5-methylphenyl]methanol
CID 176847846
2-[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]-N-pentylacetamide
CID 167759308

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol?
The IUPAC name of (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol (CID 45371618) is (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol.
What is the SMILES notation for (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol?
The canonical SMILES for (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol is CCC(C)Oc1c(I)cc(CO)cc1OC.
What is the InChIKey of (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol?
The InChIKey is NRNVEOXJRLVPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IO3/c1-4-8(2)16-12-10(13)5-9(7-14)6-11(12)15-3/h5-6,8,14H,4,7H2,1-3H3.
What are the key properties of (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol?
(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol has a molecular weight of 336.17 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol is sourced from PubChem (CID 45371618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).