(2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

C18H19BrO2 — CID 62719512

IUPAC(2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
SMILESCOc1ccc(C(O)C2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C18H19BrO2/c1-21-13-9-10-16(17(19)11-13)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,18,20H,4,6,8H2,1H3
InChIKeyRVESRMSTDLJCAB-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.61
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

(2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol (PubChem CID 62719512) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
PubChem CID62719512
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name(2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
SMILESCOc1ccc(C(O)C2CCCc3ccccc32)c(Br)c1
InChIInChI=1S/C18H19BrO2/c1-21-13-9-10-16(17(19)11-13)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,18,20H,4,6,8H2,1H3
InChIKeyRVESRMSTDLJCAB-UHFFFAOYSA-N
XLogP4.61
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol (CID 62719512) is (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol is COc1ccc(C(O)C2CCCc3ccccc32)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
The InChIKey is RVESRMSTDLJCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-21-13-9-10-16(17(19)11-13)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,9-11,15,18,20H,4,6,8H2,1H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol?
(2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol has a molecular weight of 347.25 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol is sourced from PubChem (CID 62719512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).